Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3226845 | 0.87 | TAAR1 (0.58) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| Acetic Acid SCHEMBL6327506 | 0.79 | TAAR1 (0.50) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| Acetic Acid SCHEMBL10713225 | 0.76 | CYP2C19 (0.47) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL29090142 | 0.75 | CYP2C19 (0.67) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| SCHEMBL1850 | 0.75 | CYP2C19 (0.55) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| Tert-Butylbenzene SCHEMBL27324626 | 0.73 | MAPT (0.54) | CYP2C19HIF1AMAPTKMT2AHDAC3 | |
| Triphenylmethanol SCHEMBL5623411 | 0.73 | KMT2A (0.48) | CYP2C19HIF1AMAPTKMT2AHDAC3 | |
| Acetic Acid SCHEMBL28441452 | 0.73 | CYP2C19 (0.44) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| SCHEMBL57411 | 0.72 | CYP2C19 (0.69) | CYP2C19HIF1ATAAR1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL5789392 | 0.72 | MAPT (0.53) | CYP2C19HIF1ATAAR1MAPTKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2261208-A1 | Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives | Aventisub II Inc. (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2261207-A1 | Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives | Aventisub II Inc. (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-1953142-A1 | Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives | Aventis Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| US-6777555-B2 | 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE | MERRELL PHARMACEUTICALS, INC. | 2004-08-17 | — | — | US | disclosed |
| US-20030220496-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS, INC. | 2003-11-27 | — | — | US | disclosed |
| US-6566526-B2 | Intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2003-05-20 | — | — | US | disclosed |
| US-6559312-B2 | Cyclopropyl phenyl ketone compound | MERRELL PHARMACEUTICALS INC. | 2003-05-06 | — | — | US | disclosed |
| US-6555689-B2 | Antiallergy agents and bronchodilators | MERRELL PHARMACEUTICALS INC. | 2003-04-29 | — | — | US | disclosed |
| US-6552200-B2 | Antiallergens | MERRELL PHARMACEUTICALS INC. | 2003-04-22 | — | — | US | disclosed |
| US-6548675-B2 | 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators | MERRELL PHARMACEUTICALS INC. | 2003-04-15 | — | — | US | disclosed |
| US-20020007085-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2002-01-17 | — | — | US | disclosed |
| US-20010031895-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL DOW PHARMACEUTICALS INC. | 2001-10-18 | — | — | US | disclosed |
| US-20010021791-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-09-13 | — | — | US | disclosed |
| US-20010020114-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-09-06 | — | — | US | disclosed |
| US-20010018521-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. | 2001-08-30 | — | — | US | disclosed |
| US-6242606-B1 | REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID | MERRELL PHARMACEUTICALS INC. | 2001-06-05 | — | — | US | disclosed |
| US-20010000038-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | CHATTEM INC. | 2001-03-15 | — | — | US | disclosed |
| US-6147216-A | Intermediates useful for the preparation of antihistaminic piperidine derivatives | MERRELL PHARMACEUTICALS INC. (US) | 2000-11-14 | — | — | US | disclosed |
| EP-0705245-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000480-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010000038-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 4170/4885ESR2 3038/4885CYP2C19 663/4885 |
| US-20010020114-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 4110/4885ESR2 2708/4885CYP2C19 793/4885 |
| US-20030220496-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 4170/4885ESR2 3038/4885CYP2C19 663/4885 |
| US-20010021791-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 3791/4885ESR2 2193/4885CYP2C19 548/4885 |
| US-20010031895-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH4, HRH3 | ESR1 4015/4885ESR2 2397/4885CYP2C19 579/4885 |
| US-20010018521-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 4107/4885ESR2 2643/4885CYP2C19 566/4885 |
| US-20020007085-A1 | Novel intermediates useful for the preparation of antihistaminic piperidine derivatives | HRH1, HRH3, HRH4 | ESR1 3917/4885ESR2 2358/4885CYP2C19 550/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.