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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 12/20 | 0.47 |
| ▸ | CDK2 | P24941 | 12/20 | 0.47 |
| ▸ | CCNE2 | O96020 | 11/20 | 0.47 |
| ▸ | CDK4 | P11802 | 6/20 | 0.46 |
| ▸ | CDK1 | P06493 | 5/20 | 0.46 |
| ▸ | CCND1 | P24385 | 5/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | OGA | O60502 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5216438 | 0.96 | CCNE1 (0.48) | CCNE1CDK2CCNE2CDK4CDK1 | |
| Nitrobenzene SCHEMBL11788338 | 0.82 | CSNK2A2 (0.51) | CCNE1CDK2CCNE2LMNAMAPT | |
| SCHEMBL186141 | 0.76 | HCAR2 (0.53) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL2175131 | 0.76 | RAB9A (0.60) | CCNE1CDK2CDK4CDK1LMNA | |
| SCHEMBL1350381 | 0.74 | CCNE1 (0.48) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL4522999 | 0.74 | CCNE1 (0.59) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL13158536 | 0.74 | CCNE1 (0.48) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL966406 | 0.74 | ALOX15 (0.53) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL1763394 | 0.74 | CCNE1 (0.48) | CCNE1CDK2CCNE2CDK4CDK1 | |
| SCHEMBL2371104 | 0.74 | FFAR2 (0.52) | CCNE1CDK2CCNE2CDK4CDK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042307-B1 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | BRISTOL MYERS SQUIBB CO (US) | 2007-10-03 | — | — | EP | disclosed |
| US-6521759-B2 | Anticancer, antiarthritic, and antiinflammatory agents | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-18 | — | — | US | disclosed |
| EP-1042307-A4 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | BRISTOL MYERS SQUIBB CO (US) | 2003-01-29 | — | — | EP | disclosed |
| US-20020137778-A1 | Aminothiazole inhibitors of cyclin dependent kinases | KIM KYOUNG S (US) | 2002-09-26 | — | — | US | disclosed |
| EP-1240153-A1 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | Bristol-Myers Squibb Company (US) | 2002-09-18 | — | — | EP | disclosed |
| US-6262096-B1 | IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. | BRISTOL-MYERS SQUIBB COMPANY | 2001-07-17 | — | — | US | disclosed |
| WO-2001044217-A1 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | BRISTOL-MYERS SQUIBB CO. (US) | 2001-06-21 | — | — | WO | disclosed |
| EP-1042307-A1 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| US-6040321-A | ENZYME INHIBITOR TREATING CANCER, INFLAMMATION AND ARTHRITIS, NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, CARDIOVASCULAR DISEASES, VIRAL DISEASES AND FUNGAL DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-03-21 | — | — | US | disclosed |
| WO-1999024416-A1 | AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-05-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020137778-A1 | Aminothiazole inhibitors of cyclin dependent kinases | CCNI, CDK1, CCNK | CCNE1 5/4885CDK2 6/4885CCNE2 14/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.