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 | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | BCL2 | P10415 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6609814 | 0.95 | NAMPT (0.52) | NAMPTCYP17A1MAPKAPK2HDAC1BCL2 | |
| SCHEMBL24364346 | 0.89 | PTPN11 (0.51) | NAMPTCYP17A1KMT2AMAPKAPK2HDAC1 | |
| SCHEMBL30136675 | 0.87 | ALDH1A1 (0.51) | NAMPTKMT2AHDAC1BCL2SMN1; SMN2 | |
| SCHEMBL24756649 | 0.87 | ALDH1A1 (0.51) | NAMPTKMT2AHDAC1BCL2SMN1; SMN2 | |
| SCHEMBL7324243 | 0.87 | NAMPT (0.46) | NAMPTCYP17A1MAPKAPK2HDAC1BCL2 | |
| SCHEMBL7081208 | 0.85 | NAMPT (0.46) | NAMPTCYP17A1KMT2AMAPKAPK2HDAC1 | |
| SCHEMBL3328875 | 0.82 | NAMPT (0.48) | NAMPTCYP17A1MAPKAPK2HDAC1BCL2 | |
| SCHEMBL2012546 | 0.81 | NAMPT (0.50) | NAMPTCYP17A1MAPKAPK2BCL2PSMB8 | |
| SCHEMBL1734048 | 0.81 | P4HTM (0.54) | NAMPTCYP17A1 | |
| SCHEMBL29929054 | 0.81 | P4HTM (0.54) | NAMPTCYP17A1 |
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-106061973-B | Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide | 辉瑞公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-107417684-A | Heterocyclic acryloyloxy amine | 辉瑞公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-106061973-A | Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide | 辉瑞公司 | 2016-10-26 | — | — | CN | disclosed |