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 | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6476824 | 0.80 | ABCB1 (0.40) | ABCB1MAPTENPP2 | |
| SCHEMBL6476816 | 0.80 | ABCB1 (0.40) | ABCB1MAPTENPP2 | |
| Hydrochloric Acid SCHEMBL6478372 | 0.78 | ABCB1 (0.46) | ABCB1MAPTGSK3BSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6478364 | 0.78 | ABCB1 (0.46) | ABCB1MAPTGSK3BSMN1; SMN2 | |
| SCHEMBL6478007 | 0.76 | ABCB1 (0.48) | ABCB1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL6478016 | 0.76 | ABCB1 (0.48) | ABCB1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL6487252 | 0.72 | ABCB1 (0.43) | ABCB1MAPTLMNASMN1; SMN2CDK8 | |
| SCHEMBL6487256 | 0.72 | ABCB1 (0.43) | ABCB1MAPTLMNASMN1; SMN2CDK8 | |
| SCHEMBL6477755 | 0.72 | ABCB1 (0.47) | ABCB1MAPTLMNACASP3SMN1; SMN2 | |
| SCHEMBL6477752 | 0.72 | ABCB1 (0.47) | ABCB1MAPTLMNACASP3SMN1; SMN2 |
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-20050014942-A1 | Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation | NIPPON SHINYAKU CO., LTD. (JP) | 2005-01-20 | — | — | US | claimed |
| EP-1452525-A1 | AMIDE DERIVATIVES AND DRUGS | Nippon Shinyaku Co., Ltd. (JP) | 2004-09-01 | — | — | EP | claimed |
| US-20050014942-A1 | Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation | NIPPON SHINYAKU CO., LTD. (JP) | 2005-01-20 | — | — | US | disclosed |
| EP-1452525-A1 | AMIDE DERIVATIVES AND DRUGS | Nippon Shinyaku Co., Ltd. (JP) | 2004-09-01 | — | — | EP | 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-20050014942-A1 | Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation | TGFBR1, TGFBR2, TGFB1 | ABCB1 2911/4885ADAM17 396/4885TP53 1889/4885 |
“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.