Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27762705 | 0.93 | MEN1 (0.52) | MEN1KMT2APOLBSMN1; SMN2KDM4E | |
| SCHEMBL9520350 | 0.87 | KMT2A (0.58) | MEN1KMT2APOLBSMN1; SMN2KDM4E | |
| SCHEMBL28993859 | 0.87 | L3MBTL1 (0.59) | MEN1KMT2APOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL28220744 | 0.86 | CYP2D6 (0.50) | MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2907594 | 0.85 | ALDH1A1 (0.51) | MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL9518528 | 0.84 | TSHR (0.49) | MEN1KMT2APOLBALDH1A1MAPK1 | |
| SCHEMBL3739923 | 0.83 | L3MBTL1 (0.46) | MEN1KMT2APOLBALDH1A1LMNA | |
| SCHEMBL11534382 | 0.83 | MEN1 (0.65) | MEN1KMT2APOLBSMN1; SMN2KDM4E | |
| Pentane SCHEMBL28482247 | 0.82 | ALDH1A1 (0.50) | MEN1KMT2ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL9516934 | 0.81 | RAB9A (0.48) | KMT2APOLBALDH1A1MAPK1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252875-B1 | MICROBICIDAL AGENT | CIBA-GEIGY AG (CH) | 1993-01-27 | — | — | EP | claimed |