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 | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.52 |
| ▸ | PLK4 | O00444 | 2/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | LCK | P06239 | 2/20 | 0.52 |
| ▸ | FYN | P06241 | 2/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.52 |
| ▸ | RET | P07949 | 2/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 2/20 | 0.52 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.52 |
| ▸ | MARK3 | P27448 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 2/20 | 0.52 |
| ▸ | FLT3 | P36888 | 2/20 | 0.52 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.52 |
| ▸ | BTK | Q06187 | 2/20 | 0.52 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.52 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4816025 | 1.00 | AURKA (0.52) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL13987722 | 0.97 | AURKA (0.52) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL4778163 | 0.87 | AURKA (0.53) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL6340560 | 0.87 | AURKA (0.48) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL4773265 | 0.84 | AURKA (0.51) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL4779793 | 0.84 | AURKA (0.52) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL4779762 | 0.84 | AURKA (0.50) | AURKAPLK4CHEK2ABL1EGFR | |
| Hydrochloric Acid SCHEMBL4779474 | 0.84 | AURKA (0.51) | AURKAPLK4CHEK2ABL1EGFR | |
| SCHEMBL13987301 | 0.83 | AURKA (0.49) | AURKAPLK4CHEK2ABL1EGFR | |
| Hydrochloric Acid SCHEMBL4779876 | 0.83 | AURKA (0.51) | AURKAPLK4CHEK2ABL1EGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1585749-B1 | DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS | PFIZER (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1947102-A1 | Compositions comprising diazepinoindole derivatives as kinase inhibitors | Pfizer, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |