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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7217839 | 0.82 | ITGB3 (0.48) | ALDH1A1ITGB3ITGA2B | |
| SCHEMBL7216435 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAACTSL | |
| SCHEMBL7217807 | 0.78 | ITGA4 (0.42) | KMT2AALDH1A1ITGB3MEN1ITGA4 | |
| SCHEMBL7211407 | 0.78 | ITGB3 (0.52) | ITGB3ITGA2B | |
| Acetic Acid SCHEMBL7986702 | 0.71 | KMT2A (0.59) | KMT2AHDAC6ITGB3ITGA2BMEN1 | |
| Acetic Acid SCHEMBL7986699 | 0.71 | KMT2A (0.59) | KMT2AHDAC6ITGB3ITGA2BMEN1 | |
| SCHEMBL7983179 | 0.71 | ITGB3 (0.58) | KMT2AITGB3ITGA2BMEN1ITGA4 | |
| Hydrochloric Acid SCHEMBL8492408 | 0.71 | ITGB3 (0.57) | KMT2AITGB3ITGA2BMEN1ITGA4 | |
| SCHEMBL17878707 | 0.70 | ITGB3 (0.54) | IDO1ALDH1A1ITGB3ITGA2BTPSAB1 | |
| SCHEMBL29706702 | 0.70 | ITGB3 (0.54) | IDO1ALDH1A1ITGB3ITGA2BTPSAB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620820-B2 | Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies | HOECHST AKTIENGESELLSCHAFT (DE) | 2003-09-16 | — | — | US | disclosed |
| US-20020119999-A1 | Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors | HOECHST AKTIENGESELLSCHAFT | 2002-08-29 | — | — | US | disclosed |
| US-6218415-B1 | THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-17 | — | — | 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 (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-20020119999-A1 | Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors | ADGRF1, CALCR, SOST | KMT2A 4726/4885IDO1 3323/4885HDAC6 2368/4885 |
“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.