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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOX | P28300 | 16/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1467277 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL589082 | 0.85 | CYP2E1 (0.39) | LOXLOXL2MAOACYP2E1CYP3A4 | |
| SCHEMBL22788280 | 0.75 | LOX (0.37) | LOXLOXL2MAOACYP2E1CYP3A4 | |
| SCHEMBL6776233 | 0.74 | FFAR1 (0.57) | FFAR1 | |
| Acetic Acid SCHEMBL17221520 | 0.73 | SMN1; SMN2 (0.47) | LOXLOXL2MAOAKDM4ESMN1; SMN2 | |
| SCHEMBL5897543 | 0.72 | ALDH1A1 (0.36) | KDM4ECYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL5851890 | 0.72 | CA1 (0.42) | KDM4E | |
| Hydrochloric Acid SCHEMBL6689615 | 0.71 | TRPA1 (0.34) | LOXL2CYP2E1CYP3A4CYP2A6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6685145 | 0.71 | LOXL2 (0.33) | LOXLOXL2CYP2E1CYP3A4CYP2A6 | |
| Hydrochloric Acid SCHEMBL5852688 | 0.71 | CA1 (0.41) | KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008069609-A1 | PYRIMIDINONE DERIVATIVES OR PYRIDAZINONE DERIVATIVES FOR INHIBITION OF FACTOR VIIA ACTIVITY | LEGOCHEM BIOSCIENCE LTD. (KR) | 2008-06-12 | — | — | WO | disclosed |