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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.38 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 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 | |
|---|---|---|---|---|
| SCHEMBL29595365 | 0.95 | MEN1 (0.54) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| SCHEMBL1338359 | 0.95 | MEN1 (0.54) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| Hydrochloric Acid SCHEMBL27476431 | 0.93 | MEN1 (0.53) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| Cyclohexylamine SCHEMBL9588338 | 0.83 | MEN1 (0.43) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| Acetic Acid SCHEMBL38655310 | 0.82 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| SCHEMBL247946 | 0.80 | MEN1 (0.53) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| SCHEMBL29921534 | 0.80 | MEN1 (0.53) | MEN1CYP3A4CYP2D6KMT2ANPSR1 | |
| SCHEMBL3702121 | 0.79 | CYP2D6 (0.45) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL4751069 | 0.79 | HTR2C (0.56) | CYP3A4NPSR1HTR2AALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL27924558 | 0.78 | CYP2D6 (0.44) | MEN1CYP3A4CYP2D6KMT2ANPSR1 |
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-1115330-C | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 2003-07-23 | — | — | CN | disclosed |
| CN-1224714-A | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |