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 | |
|---|---|---|---|---|
| ▸ | F10 known ✓ | P00742 | 1/20 | 0.33 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 known ✓ | Q9UGN5 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 9/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.32 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.32 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1914059 | 0.87 | PNMT (0.39) | PNMTCYP2D6LMNACYP2C19F10 | |
| SCHEMBL7531928 | 0.86 | PNMT (0.44) | PNMTITGB3ITGA2BTPSAB1TPSD1 | |
| SCHEMBL7528283 | 0.82 | PNMT (0.40) | PNMTCYP2D6LMNACYP2C19F10 | |
| SCHEMBL4058720 | 0.78 | PNMT (0.46) | PNMTCYP2D6F10HTR6ADRA2A | |
| SCHEMBL3053106 | 0.69 | PNMT (0.50) | PNMTITGB3ITGA2BTPSAB1TPSD1 | |
| Hydrochloric Acid SCHEMBL14141606 | 0.65 | PNMT (0.52) | PNMTF10ITGB3ITGA2BTPSAB1 | |
| SCHEMBL15071934 | 0.64 | PNMT (0.54) | PNMTF10ITGB3ITGA2BTPSAB1 | |
| Hydrochloric Acid SCHEMBL1443367 | 0.63 | PNMT (0.60) | PNMTF10ITGB3ITGA2BTPSAB1 | |
| SCHEMBL7527801 | 0.63 | PNMT (0.51) | PNMTITGB3ITGA2BTPSAB1TPSD1 | |
| Aziridine SCHEMBL5185484 | 0.62 | ALDH1A1 (0.50) | CYP2D6LMNAALDH1A1TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0785205-B1 | 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES (JP) | 2002-04-17 | — | — | EP | disclosed |
| US-5874581-A | CHEMICAL INTERMEDIATE OF AN ANTIPLATELET MEDICINE AND AN ELASTASE INHIBITOR; REACTING A HALOSILANE AND A 2-OXO-4,5,6,7 -TETRAHYDROTHIENO(3,2-C)PYRIDINE IN THE PRESENCE OF A TERTIARY AMINE | UBE INDUSTRIES, LTD. (JP) | 1999-02-23 | — | — | US | disclosed |
| EP-0785205-A1 | 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES, LTD. (JP) | 1997-07-23 | — | — | EP | disclosed |