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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
| ▸ | ADH1A | P07327 | 1/20 | 0.44 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL17714091 | 1.00 | ALDH1A1 (0.63) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL28913904 | 1.00 | ALDH1A1 (0.63) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Acetone SCHEMBL20551274 | 0.92 | ALDH1A1 (0.67) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Bicarbonate SCHEMBL973482 | 0.89 | ALDH1A1 (0.71) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Bicarbonate SCHEMBL11429542 | 0.89 | ALDH1A1 (0.71) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| SCHEMBL28146286 | 0.86 | ALDH1A1 (0.75) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Propionic Acid SCHEMBL9069175 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Acetic Acid SCHEMBL1622570 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| SCHEMBL11135148 | 0.84 | ALDH1A1 (0.63) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 | |
| Carbamic Acid SCHEMBL6932729 | 0.84 | ALDH1A1 (0.63) | ALDH1A1HSD17B10EPHX1NPC1SMN1; SMN2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2860175-B1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF | TACURION (US) | 2017-11-29 | — | — | EP | disclosed |
| CN-105473552-B | Method for producing azole derivatives and its intermediate | 第三共株式会社 | 2017-11-10 | — | — | CN | disclosed |
| US-20170158639-A1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD | TACURION (US) | 2017-06-08 | — | — | US | disclosed |
| CN-101910183-A | Preparation method of 4- (substituted phenyl) hexahydropyrido [2,1-C ] [1,4] oxazin-6-one | EISAI R&D MAN CO LTD | 2010-12-08 | — | — | CN | disclosed |
| CN-101039902-B | Aminoalcohol derivatives | ASTELLAS PHARMA INC | 2010-11-10 | — | — | CN | disclosed |
| CN-101061092-A | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK & CO INC (US) | 2007-10-24 | — | — | CN | disclosed |
| CN-101056635-A | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK & CO INC (US) | 2007-10-17 | — | — | CN | disclosed |
| CN-101039902-A | Aminoalcohol derivatives | ASTELLAS PHARMA INC (JP) | 2007-09-19 | — | — | CN | disclosed |
| CN-1791577-A | Fluoro-methylsulfonyl substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists | MERCK FROSST CANADA LTD (CA) | 2006-06-21 | — | — | CN | disclosed |
| US-6361940-B1 | IMMOBILIZATION; GENETIC ENGINEERING | QIAGEN GENOMICS, INC. | 2002-03-26 | — | — | US | disclosed |
| EP-0958378-A2 | COMPOSITIONS AND METHODS FOR ENHANCING HYBRIDIZATION SPECIFICITY | Rapigene, Inc. (US) | 1999-11-24 | — | — | EP | disclosed |
| EP-0952228-A2 | Compositions and methods for enhancing hybridization specificity | Rapigene, Inc. (US) | 1999-10-27 | — | — | EP | disclosed |
| WO-1998013527-A2 | COMPOSITIONS AND METHODS FOR ENHANCING HYBRIDIZATION SPECIFICITY | RAPIGENE, INC. (US) | 1998-04-02 | — | — | WO | disclosed |
| CN-1058595-A | THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES | SHIONOGI & CO (JP) | 1992-02-12 | — | — | CN | disclosed |
| US-4107432-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1978-08-15 | — | — | US | disclosed |
| US-4058661-A | 7-Diacyl cephalosporins | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4014873-A | Process for the production of 7-acylamidocephalosporins | MERCK & CO., INC. (US) | 1977-03-29 | — | — | US | 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 (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-20170158639-A1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD | AVPR2, AVPR1A, AVPR1B | ALDH1A1 1488/4885HSD17B10 1103/4885EPHX1 2892/4885 |
“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.