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 | |
|---|---|---|---|---|
| ▸ | CCND3 | P30281 | 4/20 | 0.44 |
| ▸ | CDK4 | P11802 | 4/20 | 0.44 |
| ▸ | CCND1 | P24385 | 4/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | CCND2 | P30279 | 3/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL748173 | 0.92 | CCND3 (0.49) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL5264282 | 0.77 | CDK4 (0.52) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL17687572 | 0.74 | CCND3 (0.46) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL2320862 | 0.71 | EGFR (0.43) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL19882756 | 0.71 | CCND3 (0.41) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL16416249 | 0.71 | MAPK8 (0.48) | CCNA2CDK2MAPK10MAPK8MAPK9 | |
| SCHEMBL4075363 | 0.71 | CDK4 (0.50) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL30923190 | 0.68 | HCAR3 (0.53) | MAPK10NPC1RAB9APKMMEN1 | |
| SCHEMBL16993339 | 0.67 | CDK4 (0.51) | CCND3CDK4CCND1CCNA2CDK2 | |
| SCHEMBL17910166 | 0.67 | MAPK8 (0.54) | CCND3CDK4CCND1CCNA2CDK2 |
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-105541832-A | Preparation method of Palbociclib isethionate | NANJING NMG-ADDS CO LTD | 2016-05-04 | — | — | CN | disclosed |