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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL251842 | 0.92 | MAOB (0.54) | MAOBBRD4PBRM1MAPK14NPC1 | |
| SCHEMBL29392039 | 0.92 | MAOB (0.54) | MAOBBRD4PBRM1MAPK14NPC1 | |
| Butane SCHEMBL4688097 | 0.85 | BRD4 (0.52) | MAOBBRD4PBRM1MAPK14NQO2 | |
| SCHEMBL6130607 | 0.85 | MAPK14 (0.56) | MAOBMAPK14METAP1CYP19A1KDM4E | |
| SCHEMBL27819611 | 0.82 | BRD4 (0.52) | MAOBBRD4PBRM1MAPK14ALDH1A1 | |
| SCHEMBL5146484 | 0.81 | MAOB (0.58) | MAOBMAPK14ACHEMETAP1CYP19A1 | |
| SCHEMBL5871789 | 0.81 | MAOB (0.58) | MAOBMAPK14NPC1ALDH1A1LMNA | |
| SCHEMBL29726357 | 0.81 | MAOB (0.58) | MAOBACHEMETAP1CYP19A1KDM4E | |
| SCHEMBL120284 | 0.81 | MAOB (0.58) | MAOBACHEMETAP1CYP19A1KDM4E | |
| SCHEMBL876455 | 0.80 | PBRM1 (0.53) | MAOBBRD4PBRM1MAPK14ALDH1A1 |
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-6642251-B1 | Antitumor, 2-indolinone derivatives | SUGEN, INC. | 2003-11-04 | — | — | US | disclosed |
| US-20030199510-A1 | Geometrically restricted 2-indolinone derivatives as modulators of protein kinase activity | SUGEN, INC. | 2003-10-23 | — | — | US | disclosed |
| US-6525072-B1 | Prevention and treatment of cellular disorders such as cancer | SUGEN, INC. | 2003-02-25 | — | — | US | disclosed |
| EP-1117397-A1 | GEOMETRICALLY RESTRICTED 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY | Sugen, Inc. (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000012084-A1 | GEOMETRICALLY RESTRICTED 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY | SUGEN, INC. (US) | 2000-03-09 | — | — | 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-20030199510-A1 | Geometrically restricted 2-indolinone derivatives as modulators of protein kinase activity | MAP4K2, CKS2, MAP4K1 | MAOB 2546/4885BRD4 555/4885PBRM1 1983/4885 |
“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.