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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7986699 | 1.00 | KMT2A (0.59) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| SCHEMBL7034455 | 0.97 | KMT2A (0.62) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| SCHEMBL8476428 | 0.97 | KMT2A (0.62) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| SCHEMBL7031885 | 0.97 | KMT2A (0.62) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL7970486 | 0.96 | KMT2A (0.60) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL7970485 | 0.96 | KMT2A (0.60) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL7970480 | 0.96 | KMT2A (0.60) | KMT2AL3MBTL1HTTITGB3ITGA2B | |
| SCHEMBL7986705 | 0.84 | L3MBTL1 (0.46) | KMT2AL3MBTL1MEN1 | |
| SCHEMBL7982748 | 0.84 | KMT2A (0.64) | KMT2AL3MBTL1HTTMEN1 | |
| SCHEMBL7982744 | 0.84 | KMT2A (0.64) | KMT2AL3MBTL1HTTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191282-B1 | DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT | HOECHST MARION ROUSSEL (DE) | 2001-02-20 | — | — | US | disclosed |
| US-5981492-A | ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-09 | — | — | US | disclosed |