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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | YAP1 | P46937 | 1/20 | 0.53 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.53 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 7/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | SCN1A | P35498 | 2/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.48 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 4/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563521 | 0.97 | LMNA (0.68) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| SCHEMBL3812938 | 0.87 | LMNA (0.70) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| Acetic Acid SCHEMBL28343561 | 0.85 | PDE4D (0.61) | LMNACYP1A2CYP2C9CYP2C19TEAD4 | |
| Ufenamate SCHEMBL29376700 | 0.83 | CYP1A2 (0.72) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| Ufenamate SCHEMBL36095 | 0.83 | CYP1A2 (0.72) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| SCHEMBL10597386 | 0.83 | LMNA (0.71) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| SCHEMBL12715082 | 0.82 | LMNA (0.91) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| SCHEMBL3807352 | 0.82 | PDE4D (0.64) | LMNACYP1A2CYP2C9CYP2C19TEAD4 | |
| SCHEMBL4015317 | 0.81 | LMNA (0.60) | LMNACYP1A2CYP2C9CYP2C19YAP1 | |
| Acetic Acid SCHEMBL28343497 | 0.80 | LMNA (0.54) | LMNACYP1A2CYP2C9CYP2C19YAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104706630-B | Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates | 于崇曦 | 2020-01-10 | — | — | CN | claimed |
| CN-104706630-B | Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates | 于崇曦 | 2020-01-10 | — | — | CN | disclosed |