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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2728918 | 0.85 | CYP2A6 (0.47) | CYP2A6DYRK1AKDM4ECYP11B2CYP11B1 | |
| Acetic Acid SCHEMBL11638431 | 0.82 | SMN1; SMN2 (0.43) | HCAR2KDM4ECYP11B2CYP2C9CYP2C19 | |
| SCHEMBL6983640 | 0.81 | ALDH1A1 (0.47) | CYP2A6DYRK1AKDM4ECYP11B2CYP11B1 | |
| SCHEMBL16619756 | 0.79 | LMNA (0.40) | CYP2A6KDM4ECYP11B2CYP11B1ALDH1A1 | |
| SCHEMBL7817677 | 0.78 | HCAR2 (0.59) | CYP2A6DYRK1AHCAR2KDM4ECYP11B2 | |
| SCHEMBL5110141 | 0.76 | CYP2A6 (0.42) | CYP2A6CYP11B2CYP11B1AR | |
| SCHEMBL31156865 | 0.74 | — | — | |
| SCHEMBL5514245 | 0.74 | CYP2A6 (0.41) | CYP2A6DYRK1AKDM4ECYP11B2CYP11B1 | |
| SCHEMBL1630903 | 0.74 | — | — | |
| SCHEMBL25236225 | 0.74 | CYP2A6 (0.38) | CYP2A6DYRK1AKDM4ECYP11B2CYP11B1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985671-B1 | PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARM CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| CN-1309561-A | Therapeutic agent for erectile dysfunction | MOCHIDA PHARM CO LTD (JP) | 2001-08-22 | — | — | CN | disclosed |
| US-6197768-B1 | THERAPY, PREVENTION ISCHEMIC HEART DISEASE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0992240-A1 | THERAPEUTIC AGENT FOR ERECTION FAILURE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-12 | — | — | EP | disclosed |
| EP-0985671-A1 | PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-03-15 | — | — | EP | disclosed |
| US-6018046-A | SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-01-25 | — | — | US | disclosed |