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 | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 7/20 | 0.88 |
| ▸ | CA1 | P00915 | 5/20 | 0.88 |
| ▸ | CA2 | P00918 | 5/20 | 0.88 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.88 |
| ▸ | PARP1 | P09874 | 1/20 | 0.88 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.88 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.60 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.59 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.59 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.59 |
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL201761 | 0.94 | PARP10 (1.00) | PARP10CA1CA2PARP4PARP1 | |
| Hydrochloric Acid SCHEMBL408766 | 0.91 | PARP10 (0.95) | PARP10CA1CA2PARP4PARP1 | |
| Hydrochloric Acid SCHEMBL4376056 | 0.91 | PARP10 (0.95) | PARP10CA1CA2PARP4PARP1 | |
| SCHEMBL5836337 | 0.88 | PARP10 (1.00) | PARP10CA1CA2PARP4PARP1 | |
| SCHEMBL27571315 | 0.88 | PARP10 (0.88) | PARP10CA1CA2PARP4PARP1 | |
| SCHEMBL7442028 | 0.88 | PARP10 (0.88) | PARP10CA1CA2PARP4PARP1 | |
| Benzene SCHEMBL11570077 | 0.86 | PARP10 (0.78) | PARP10CA1CA2PARP4PARP1 | |
| SCHEMBL11600003 | 0.86 | PARP10 (0.84) | PARP10CA1CA2PARP4PARP1 | |
| Ethylene Glycol SCHEMBL1232077 | 0.86 | PARP10 (0.84) | PARP10CA1CA2PARP4PARP1 | |
| SCHEMBL8406724 | 0.86 | PARP10 (0.84) | PARP10CA1CA2PARP4PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110256357-B | Imidazole drug molecule with bactericidal activity and preparation method thereof | 河南科技大学第一附属医院 | 2020-05-01 | — | — | CN | claimed |
| CN-110256357-B | Imidazole drug molecule with bactericidal activity and preparation method thereof | 河南科技大学第一附属医院 | 2020-05-01 | — | — | CN | disclosed |
| CN-110256357-B | Imidazole drug molecule with bactericidal activity and preparation method thereof | 河南科技大学第一附属医院 | 2020-05-01 | — | — | CN | disclosed |