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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 11/20 | 0.54 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.47 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL260951 | 0.91 | AHR (0.56) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL1162266 | 0.80 | SMYD3 (0.57) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL29599196 | 0.80 | SMYD3 (0.57) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL20778967 | 0.79 | SMYD3 (0.60) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL4551283 | 0.79 | SMYD3 (0.50) | SMYD3AHRMAOBEPHX2PDE3B | |
| SCHEMBL15941764 | 0.78 | SMYD3 (0.55) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL6718105 | 0.78 | BLM (0.52) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL6718109 | 0.78 | BLM (0.52) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL260278 | 0.78 | AHR (0.56) | SMYD3AHRGRIA1CACNG8MAOB | |
| SCHEMBL12123840 | 0.78 | AHR (0.56) | SMYD3AHRGRIA1CACNG8MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1898205-A | Indolinone derivatives and their use in treating disease-states such as cancer | SCHERING AG (DE) | 2007-01-17 | — | — | CN | disclosed |
| EP-1003721-B1 | BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES | GLAXO GROUP LTD (GB) | 2006-11-02 | — | — | EP | disclosed |
| US-7105563-B2 | Indolinone derivatives and their use in treating disease-states such as cancer | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-09-12 | — | — | US | disclosed |
| EP-1680401-A2 | INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | Schering Aktiengesellschaft (DE) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005040116-A2 | INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-05-06 | — | — | WO | disclosed |
| US-20050090541-A1 | Indolinone derivatives and their use in treating disease-states such as cancer | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-04-28 | — | — | US | disclosed |
| US-6268391-B1 | Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases | GLAXO WELLCOME INC. | 2001-07-31 | — | — | US | disclosed |
| EP-1003721-A1 | BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES | GLAXO GROUP LIMITED (GB) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999010325-A1 | BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES | GLAXO GROUP LIMITED (GB) | 1999-03-04 | — | — | 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-20050090541-A1 | Indolinone derivatives and their use in treating disease-states such as cancer | PDK3, PDK2, PDK4 | SMYD3 2632/4885AHR 504/4885GRIA1 903/4885 |
“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.