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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 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 Methyl Ester SCHEMBL5461039 | 0.88 | PDPK1 (0.49) | PDPK1ADRB2LOXL2CYP2A6ADORA2A | |
| SCHEMBL1653986 | 0.87 | PDPK1 (0.68) | PDPK1ADRB2LOXL2CYP2A6ADORA2A | |
| Acetic Acid SCHEMBL9382210 | 0.83 | PDPK1 (0.55) | PDPK1ADRB2LOXL2ABL1BCR | |
| SCHEMBL19219079 | 0.83 | PDPK1 (0.63) | PDPK1ADRB2LOXL2CYP2A6ABL1 | |
| Acetic Acid SCHEMBL5455986 | 0.80 | CYP2A6 (0.78) | PDPK1CYP2A6ALDH1A1HDAC6 | |
| SCHEMBL15194111 | 0.79 | ABL1 (0.55) | PDPK1ADRB2LOXL2CYP2A6ABL1 | |
| 2-Phenylthiazole SCHEMBL28287735 | 0.76 | PDPK1 (0.78) | PDPK1ADRB2LOXL2CYP2A6ABL1 | |
| SCHEMBL2177044 | 0.76 | PDPK1 (0.60) | PDPK1ADRB2LOXL2ABL1BCR | |
| SCHEMBL13728050 | 0.76 | LOXL2 (0.57) | PDPK1ADRB2LOXL2CYP2A6ABL1 | |
| SCHEMBL722198 | 0.76 | PDPK1 (0.77) | PDPK1ADRB2LOXL2CYP2A6ADORA2A |
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 | ADRB2 3461/4885PDPK1 895/4885LOXL2 1407/4885 |
“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.