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 | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 15/20 | 0.52 |
| ▸ | SRC | P12931 | 15/20 | 0.52 |
| ▸ | TEK | Q02763 | 15/20 | 0.52 |
| ▸ | BTK | Q06187 | 3/20 | 0.51 |
| ▸ | EGFR | P00533 | 3/20 | 0.51 |
| ▸ | KDR | P35968 | 6/20 | 0.48 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.44 |
| ▸ | AKT2 | P31751 | 2/20 | 0.44 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5817230 | 0.93 | LCK (0.51) | LCKSRCTEKBTKEGFR | |
| SCHEMBL13762806 | 0.83 | PI4KA (0.54) | LCKSRCBTKEGFRAKT2 | |
| SCHEMBL30041613 | 0.80 | EGFR (0.55) | LCKSRCBTKEGFRKDR | |
| SCHEMBL20744975 | 0.80 | EGFR (0.55) | LCKSRCBTKEGFRKDR | |
| SCHEMBL30455250 | 0.79 | RET (0.49) | BTKEGFRKDRERBB2AKT2 | |
| SCHEMBL4976789 | 0.77 | EGFR (0.48) | LCKSRCTEKBTKEGFR | |
| SCHEMBL30164318 | 0.75 | EGFR (0.47) | LCKSRCTEKBTKEGFR | |
| SCHEMBL27731637 | 0.75 | EGFR (0.50) | LCKSRCBTKEGFRAKT2 | |
| SCHEMBL21807058 | 0.75 | EGFR (0.59) | LCKSRCBTKEGFRKDR | |
| SCHEMBL29617733 | 0.75 | EGFR (0.59) | LCKSRCBTKEGFRKDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921763-B2 | Pyrazolopyrimidines as therapeutic agents | ABBOTT LABORATORIES (US) | 2005-07-26 | — | — | US | disclosed |
| EP-1212327-B8 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2004-02-25 | — | — | EP | disclosed |
| US-6660744-B1 | Kinase inhibitors | ABBOTT GMBH & CO. KG (DE) | 2003-12-09 | — | — | US | disclosed |
| EP-1212327-A2 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019829-A2 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-22 | — | — | WO | disclosed |