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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 14/20 | 0.52 |
| ▸ | AKT1 | P31749 | 12/20 | 0.52 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1787491 | 0.95 | RPS6KB1 (0.54) | RPS6KB1AKT1AKT2RPS6KA3SIRT2 | |
| Acetic Acid SCHEMBL4928800 | 0.92 | RPS6KB1 (0.47) | RPS6KB1AKT1SIRT2SIRT1SIRT3 | |
| Acetic Acid SCHEMBL4932160 | 0.87 | RPS6KB1 (0.50) | RPS6KB1AKT1SIRT2SIRT1SIRT3 | |
| SCHEMBL1789326 | 0.86 | RPS6KB1 (0.47) | RPS6KB1AKT1AKT2RPS6KA3SIRT2 | |
| SCHEMBL1790017 | 0.85 | RPS6KB1 (0.52) | RPS6KB1AKT1SIRT2SIRT1SIRT3 | |
| SCHEMBL4930309 | 0.80 | RPS6KB1 (0.43) | RPS6KB1AKT1AKT2RPS6KA3SIRT2 | |
| SCHEMBL1791066 | 0.79 | RPS6KB1 (0.81) | RPS6KB1AKT1AKT2RPS6KA3 | |
| SCHEMBL1791379 | 0.79 | RPS6KB1 (0.46) | RPS6KB1AKT1AKT2RPS6KA3 | |
| SCHEMBL4922523 | 0.78 | RPS6KB1 (0.55) | RPS6KB1AKT1AKT2RPS6KA3SIRT2 | |
| SCHEMBL1788791 | 0.77 | RPS6KB1 (0.53) | RPS6KB1AKT1AKT2RPS6KA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | 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-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | RPS6KB1 13/4885AKT1 6/4885AKT2 7/4885 |
“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.