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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 12/20 | 0.65 |
| ▸ | CCNK | O75909 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | CCND3 | P30281 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 4/20 | 0.52 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
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 SCHEMBL27949164 | 0.90 | PTK2 (0.61) | PTK2FLT4KDR | |
| SCHEMBL15598564 | 0.90 | PTK2 (0.71) | PTK2CCNKCCNA2CDK2CCND3 | |
| SCHEMBL12478708 | 0.89 | PTK2 (0.70) | PTK2CCNKCCNA2CDK2CCND3 | |
| Acetic Acid SCHEMBL27949165 | 0.88 | PTK2 (0.65) | PTK2FLT4KDR | |
| SCHEMBL16656786 | 0.88 | PTK2 (0.77) | PTK2CCNKCCNA2CDK2CCND3 | |
| SCHEMBL14643093 | 0.87 | PTK2 (0.82) | PTK2FLT4 | |
| SCHEMBL12478817 | 0.87 | PTK2 (0.70) | PTK2CCNKCCNA2CDK2CCND3 | |
| Lithium Ion SCHEMBL12478703 | 0.87 | PTK2 (0.69) | PTK2CCNKCCNA2CDK2CCND3 | |
| Acetic Acid SCHEMBL27949152 | 0.86 | PTK2 (0.62) | PTK2FLT4KDR | |
| Acetic Acid SCHEMBL27933737 | 0.85 | PTK2 (0.62) | PTK2FLT4KDR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103534241-A | Fak inhibitor | CANCER THERAPEUTICS CRC PTY LTD | 2014-01-22 | — | — | CN | disclosed |