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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 4/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4465495 | 0.97 | KDM2B (0.34) | KDM2BPTGS2BRD4CNR1CNR2 | |
| SCHEMBL4473060 | 0.87 | KDM2B (0.32) | KDM2BBRD4CNR1CNR2FFAR1 | |
| SCHEMBL4464870 | 0.83 | RORC (0.31) | EPHX1 | |
| SCHEMBL4464877 | 0.83 | RORC (0.31) | EPHX1 | |
| SCHEMBL4467263 | 0.83 | RORC (0.31) | EPHX1 | |
| SCHEMBL4473822 | 0.82 | MDM2 (0.38) | CYP11B1CYP11B2MDM2TP53 | |
| SCHEMBL4480605 | 0.82 | MDM2 (0.38) | CYP11B1CYP11B2MDM2TP53 | |
| SCHEMBL4466750 | 0.82 | MDM2 (0.38) | CYP11B1CYP11B2MDM2TP53 | |
| SCHEMBL4473718 | 0.80 | CYP11B1 (0.35) | CNR2ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL4473805 | 0.80 | CYP11B1 (0.35) | CNR2ALDH1A1CYP11B1CYP11B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7589117-B2 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-7078428-B2 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-07-18 | — | — | US | disclosed |
| US-20060148880-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-07-06 | — | — | US | disclosed |
| EP-1528923-B1 | N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2006-05-03 | — | — | EP | disclosed |
| US-20040048916-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | AVENTIS PHARMA DEUSCHLAND GMBH (DE) | 2004-03-11 | — | — | US | 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 (2 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-20060148880-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | TNNI3, NDUFB3, NDUFB11 | KDM2B 4577/4885PTGS2 250/4885BRD4 4178/4885 |
| US-20040048916-A1 | Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them | TNNI3, NDUFB3, NDUFB11 | KDM2B 4565/4885PTGS2 233/4885BRD4 4143/4885 |
“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.