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 | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.40 |
| ▸ | ITGAV | P06756 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.30 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | FASN | P49327 | 1/20 | 0.30 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL7211687 | 0.84 | ITGB3 (0.53) | ITGB3ITGAVCTSBCTSSCTSK | |
| SCHEMBL7211497 | 0.83 | ITGB3 (0.52) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7211335 | 0.79 | ITGB3 (0.37) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7212573 | 0.77 | ITGB3 (0.36) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7217641 | 0.76 | MEN1 (0.37) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7394925 | 0.76 | ITGB3 (0.35) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7395444 | 0.74 | SYK (0.35) | ITGB3ITGAVMEN1KMT2ACYP3A4 | |
| SCHEMBL7211277 | 0.72 | SYK (0.40) | ITGB3ITGAVMEN1KMT2AALDH1A1 | |
| SCHEMBL7217669 | 0.69 | ITGB3 (0.42) | ITGB3ITGAVCYP3A4ALDH1A1MAPK1 | |
| SCHEMBL7211331 | 0.66 | ITGB3 (0.66) | ITGB3ITGAVITGA2BIDO1TDO2 |
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-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-20010021708-A1 | Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors | WEHNER VOLKMAR (DE) | 2001-09-13 | — | — | 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 (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-20010021708-A1 | Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors | ADGRF1, CALCR, SOST | ITGB3 500/4885ITGAV 478/4885MEN1 525/4885 |
| US-20020119999-A1 | Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors | ADGRF1, CALCR, SOST | ITGB3 500/4885ITGAV 478/4885MEN1 525/4885 |
“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.