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 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| Biguanide SCHEMBL27660583 | 0.86 | CYP2D6 (0.55) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| SCHEMBL5442338 | 0.82 | ALDH1A1 (0.44) | CYP2D6MAPK1ALDH1A1TSHRLMNA | |
| Pimagedine SCHEMBL1551679 | 0.79 | CYP2D6 (0.55) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Hydroxyguanidine SCHEMBL13673553 | 0.79 | CYP2D6 (0.55) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Thiourea SCHEMBL9247406 | 0.79 | CYP2D6 (0.53) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Guanidine SCHEMBL811270 | 0.79 | CYP2D6 (0.61) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| SCHEMBL3884567 | 0.76 | CYP2D6 (0.55) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Thiourea SCHEMBL1577311 | 0.76 | CYP2D6 (0.58) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| SCHEMBL7687975 | 0.75 | CYP2D6 (0.48) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Dimethylamine SCHEMBL1157465 | 0.75 | SMN1; SMN2 (0.58) | CYP2D6MAPK1ALDH1A1TSHRNT5E |
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 |
|---|---|---|---|---|---|---|---|
| US-20070040151-A1 | Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems | HERAEUS KULZER GMBH (DE) | 2007-02-22 | — | — | US | disclosed |