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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.78 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.47 |
| ▸ | CTSA | P10619 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 Methyl Ester SCHEMBL5465492 | 0.90 | CYP2A6 (0.71) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL252650 | 0.88 | CYP2A6 (1.00) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29381812 | 0.88 | CYP2A6 (1.00) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL5456096 | 0.80 | PDPK1 (0.58) | CYP2A6PDPK1HDAC6ALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL28053332 | 0.79 | CYP2A6 (0.68) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| 2-Phenylthiazole SCHEMBL28287735 | 0.78 | PDPK1 (0.78) | CYP2A6PDPK1HDAC6 | |
| Acetic Acid SCHEMBL9382210 | 0.74 | PDPK1 (0.55) | PDPK1CYP2C9CYP2C19CYP2D6RAB9A | |
| 2-Phenylthiazole SCHEMBL70646 | 0.73 | PDPK1 (1.00) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1772043 | 0.73 | CYP2A6 (0.70) | CYP2A6PDPK1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7079127 | 0.72 | PDPK1 (0.67) | CYP2A6PDPK1MKNK1MKNK2RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070032518-A1 | Compounds and methods of use | AMGEN INC. (US) | 2007-02-08 | — | — | US | disclosed |
| EP-1478645-A2 | QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS | Amgen Inc. (US) | 2004-11-24 | — | — | EP | disclosed |
| US-6822097-B1 | THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS | AMGEN, INC. | 2004-11-23 | — | — | US | disclosed |
| WO-2003066630-A2 | QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS | AMGEN INC. (US) | 2003-08-14 | — | — | 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 (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-20070032518-A1 | Compounds and methods of use | BAX, BAD, CASP3 | CYP2A6 202/4885PDPK1 895/4885CYP3A4 338/4885 |
“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.