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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | GHSR known ✓ | Q92847 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19197988 | 0.77 | SIGMAR1 (0.41) | KMT2ACHRM2CHRM1CYP3A4HTR1A | |
| SCHEMBL17102940 | 0.77 | SIGMAR1 (0.50) | KMT2ACHRM2CHRM1CYP3A4LMNA | |
| Water SCHEMBL28622482 | 0.75 | SIGMAR1 (0.48) | KMT2ACHRM2CHRM1CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL28600382 | 0.75 | SIGMAR1 (0.48) | KMT2ACYP3A4LMNACYP1A2CYP2D6 | |
| SCHEMBL27980206 | 0.75 | EPHX1 (0.49) | SMN1; SMN2 | |
| Phosphoric Acid SCHEMBL19197822 | 0.75 | SIGMAR1 (0.36) | CHRM2CHRM1CYP3A4HTR1AADRA2A | |
| SCHEMBL19197994 | 0.74 | SIGMAR1 (0.37) | KMT2ACHRM2CHRM1CYP3A4HTR1A | |
| Phosphoric Acid SCHEMBL19197823 | 0.74 | SIGMAR1 (0.35) | CHRM2CHRM1CYP3A4HTR1AADRA2A | |
| SCHEMBL19197827 | 0.74 | SIGMAR1 (0.39) | CHRM2CHRM1CYP3A4HTR1AADRA2A | |
| SCHEMBL24642733 | 0.73 | KMT2A (0.40) | KMT2ACHRM2CHRM1CYP3A4HTR1A |
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-9725477-B2 | Platinum compounds of malonic acid derivative having leaving group containing amino or alkylamino | BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD (CN) | 2017-08-08 | — | — | US | claimed |
| EP-2924044-B1 | PLATINUM COMPOUND OF MALONIC ACID DERIVATIVE HAVING LEAVING GROUP CONTAINING AMINO OR ALKYLAMINO | BEIJING SHUOBAI PHARMACEUTICAL CO LTD (CN) | 2018-10-31 | — | — | EP | disclosed |
| US-9725477-B2 | Platinum compounds of malonic acid derivative having leaving group containing amino or alkylamino | BEIJING FSWELCOME TECHNOLOGY DEVELOPMENT CO., LTD (CN) | 2017-08-08 | — | — | US | disclosed |