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 | 0.41 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 9/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.37 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1444085 | 0.85 | PNMT (0.61) | PNMTF10TPSAB1TPSD1TPSG1 | |
| Hydrochloric Acid SCHEMBL1443367 | 0.83 | PNMT (0.60) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL7528283 | 0.82 | PNMT (0.40) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL1914059 | 0.81 | PNMT (0.39) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL7530391 | 0.78 | PNMT (0.36) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL9471965 | 0.71 | PNMT (0.54) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL15071934 | 0.71 | PNMT (0.54) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL18822929 | 0.71 | PNMT (0.54) | PNMTF10TPSAB1TPSD1TPSG1 | |
| Hydrochloric Acid SCHEMBL14141606 | 0.70 | PNMT (0.52) | PNMTF10TPSAB1TPSD1TPSG1 | |
| SCHEMBL30536685 | 0.70 | PNMT (0.49) | PNMTF10TPSAB1TPSD1TPSG1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009122440-A1 | PROCESS FOR THE PREPARATION OF 2-ACETOXY-5-(α -CYCLOPRPYLCARBONYL -2-FLUOROBENZYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE | TORRENT PHARMACEUTICALS LTD. (IN) | 2009-10-08 | — | — | WO | disclosed |