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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | MGLL | Q99685 | 3/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31279997 | 0.94 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2MAPTMGLL | |
| Bicarbonate SCHEMBL11475794 | 0.92 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2MAPTMGLL | |
| Acetic Acid SCHEMBL2762930 | 0.88 | HTR2A (0.51) | NPC1RAB9AMGLLHSD11B1MEN1 | |
| SCHEMBL29002065 | 0.85 | SRD5A2 (0.64) | NPC1RAB9ASMN1; SMN2MAPTMGLL | |
| SCHEMBL2346754 | 0.82 | SRD5A2 (0.65) | NPC1RAB9ASMN1; SMN2MGLLHSD11B1 | |
| SCHEMBL4674654 | 0.82 | MEN1 (0.63) | NPC1RAB9ASMN1; SMN2MGLLHSD11B1 | |
| SCHEMBL4674650 | 0.82 | MGLL (0.54) | NPC1RAB9ASMN1; SMN2MAPTMGLL | |
| SCHEMBL324342 | 0.82 | HTR2A (0.56) | MGLLHSD11B1MEN1KMT2A | |
| SCHEMBL18428493 | 0.82 | HTR2A (0.56) | MGLLHSD11B1MEN1KMT2A | |
| Bicarbonate SCHEMBL11468689 | 0.80 | HTR2A (0.54) | MGLLHSD11B1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020111513-A1 | Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof | CHATTEM INC. | 2002-08-15 | — | — | US | claimed |
| EP-1091938-A2 | ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF | Aventis Pharmaceuticals Inc. (US) | 2001-04-18 | — | — | EP | claimed |
| WO-2000001671-A2 | ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF | AVENTIS PHARMACEUTICALS INC. (US) | 2000-01-13 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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-20020111513-A1 | Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof | HRH1, HRH2, HRH4 | NPC1 895/4885RAB9A 2598/4885SMN1; SMN2 4223/4885 |
“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.