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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7202460 | 0.87 | CYP2D6 (0.48) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Pimagedine SCHEMBL1551679 | 0.84 | CYP2D6 (0.55) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| SCHEMBL9723332 | 0.83 | ALDH1A1 (0.47) | CYP2D6MAPK1SMN1; SMN2SNCAALDH1A1 | |
| SCHEMBL8855295 | 0.81 | CYP2D6 (0.44) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Guanidine SCHEMBL811270 | 0.80 | CYP2D6 (0.61) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Dimethylamine SCHEMBL1157465 | 0.80 | SMN1; SMN2 (0.58) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Hydrazinecarboxamide SCHEMBL5353072 | 0.79 | ALDH1A1 (0.50) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Dimethylamine SCHEMBL1248680 | 0.78 | SMN1; SMN2 (0.56) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Hydroxyamine SCHEMBL599912 | 0.78 | ALDH1A1 (0.58) | CYP2D6MAPK1SMN1; SMN2GAASNCA | |
| Hydrazine SCHEMBL8861759 | 0.78 | ALDH1A1 (0.58) | CYP2D6MAPK1SMN1; SMN2GAASNCA |
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-6350749-B1 | SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| EP-1057812-A1 | AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-5140048-A | Inhibitors of nonenzymatic cross-linking | THE ROCKEFELLER UNIVERSITY (US) | 1992-08-18 | — | — | US | disclosed |