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 | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 14/20 | 0.71 |
| ▸ | CDK1 | P06493 | 13/20 | 0.71 |
| ▸ | CCND1 | P24385 | 12/20 | 0.71 |
| ▸ | CDK9 | P50750 | 11/20 | 0.71 |
| ▸ | CDK2 | P24941 | 11/20 | 0.71 |
| ▸ | CCNB1 | P14635 | 10/20 | 0.71 |
| ▸ | CCNT1 | O60563 | 9/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.71 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.71 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.71 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.71 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.71 |
| ▸ | CCND3 | P30281 | 4/20 | 0.71 |
| ▸ | GSK3A | P49840 | 4/20 | 0.71 |
| ▸ | CDK7 | P50613 | 3/20 | 0.71 |
| ▸ | CCNH | P51946 | 2/20 | 0.71 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.71 |
| ▸ | MAPK15 | Q8TD08 | 2/20 | 0.71 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.71 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.71 |
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 SCHEMBL3105617 | 1.00 | CDK4 (0.71) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL291053 | 0.97 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL6524830 | 0.97 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL291051 | 0.97 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| SCHEMBL291052 | 0.97 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| Hydrochloric Acid SCHEMBL3108728 | 0.96 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| Hydrochloric Acid SCHEMBL3108722 | 0.96 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| Hydrochloric Acid SCHEMBL3108717 | 0.96 | CDK4 (0.75) | CDK4CDK1CCND1CDK9CDK2 | |
| Fumaric Acid SCHEMBL3106742 | 0.94 | CDK4 (0.68) | CDK4CDK1CCND1CDK9CDK2 | |
| Maleic Acid SCHEMBL3106730 | 0.94 | CDK4 (0.68) | CDK4CDK1CCND1CDK9CDK2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100179210-A1 | NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Piramal Enterprises Limited (IN) | 2010-07-15 | — | — | US | claimed |
| EP-2046738-A1 | ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION | Piramal Life Sciences Limited (IN) | 2009-04-15 | — | — | EP | claimed |
| WO-2007148158-A1 | ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2007-12-27 | — | — | WO | claimed |
| EP-2046738-B1 | ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION | PIRAMAL ENTPR LTD (IN) | 2014-06-11 | — | — | EP | disclosed |
| CN-101472888-B | Optically pure flavone derivatives for treating proliferative disorders and process for preparing same | PIRAMAL LIFE SCIENCES LTD | 2014-02-26 | — | — | CN | disclosed |
| US-8563596-B2 | Enantiomerically pure compounds for the treatment of proliferative disorders | Piramal Enterprises Limited (IN) | 2013-10-22 | — | — | US | disclosed |
| US-20100179210-A1 | NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Piramal Enterprises Limited (IN) | 2010-07-15 | — | — | US | disclosed |
| EP-2046738-A1 | ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION | Piramal Life Sciences Limited (IN) | 2009-04-15 | — | — | EP | disclosed |
| WO-2007148158-A1 | ENANTIOMERICALLY PURE FLAVONE DERIVATIVES FOR THE TREATMENT OF POLIFERATIVE DISORDERS AND PROCESSES FOR THEIR PREPARATION | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2007-12-27 | — | — | 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-20100179210-A1 | NOVEL ENANTIOMERICALLY PURE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | CDK2, CDK9, CDK1 | CDK4 5/4885CDK1 3/4885CCND1 21/4885 |
“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.