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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.33 |
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 known ✓ | P35228 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
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 SCHEMBL8076699 | 0.90 | OPRD1 (0.36) | OPRK1NOS3NOS1NOS2KMT2A | |
| Acetic Acid SCHEMBL29156189 | 0.81 | TSHR (0.38) | OPRK1KMT2AKDM4EMEN1CYP3A4 | |
| Acetic Acid SCHEMBL27982197 | 0.78 | ANPEP (0.46) | OPRK1KMT2ASIGMAR1MEN1ATM | |
| Acetic Acid SCHEMBL28995037 | 0.74 | ANPEP (0.40) | OPRK1KMT2ASIGMAR1MEN1ATM | |
| Acetic Acid SCHEMBL14322291 | 0.72 | APAF1 (0.39) | OPRK1KMT2AAPAF1SIGMAR1MEN1 | |
| Acetic Acid SCHEMBL29156192 | 0.72 | P2RY6 (0.36) | KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL28134518 | 0.71 | SIGMAR1 (0.47) | OPRK1KMT2ASIGMAR1MEN1GAA | |
| Acetic Acid SCHEMBL8076703 | 0.67 | MIF (0.39) | OPRK1KMT2AAPAF1SIGMAR1MEN1 | |
| Acetic Acid SCHEMBL28258040 | 0.64 | GGT1 (0.40) | KMT2A | |
| Acetic Acid SCHEMBL2465801 | 0.64 | CA12 (0.64) | KMT2AKDM4EMEN1 |
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-9034328-B2 | Anti-erbB3 antibody | KYOWA HAKKO KIRIN CO., LTD (JP) | 2015-05-19 | — | — | US | disclosed |
| EP-2722343-A1 | ANTI-erbB3 ANTIBODY | Kyowa Hakko Kirin Co., Ltd. (JP) | 2014-04-23 | — | — | EP | disclosed |
| US-20120328623-A1 | ANTI-erbB3 ANTIBODY | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2012-12-27 | — | — | US | disclosed |