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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 4/20 | 0.51 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | CTSH | P09668 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.51 |
| ▸ | CTSC | P53634 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8696155 | 1.00 | CTSB (0.51) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7357076 | 0.92 | CTSB (0.46) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7357069 | 0.92 | CTSB (0.46) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7357081 | 0.92 | CTSB (0.46) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7406161 | 0.86 | CTSB (0.56) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7406164 | 0.86 | CTSB (0.56) | CTSBCTSSCTSHCTSKCTSC | |
| SCHEMBL7406168 | 0.86 | CTSB (0.56) | CTSBCTSSCTSHCTSKCTSC | |
| Hydrochloric Acid SCHEMBL7362193 | 0.85 | CTSB (0.55) | CTSBCTSSCTSHCTSKCTSC | |
| Hydrochloric Acid SCHEMBL7362196 | 0.85 | CTSB (0.55) | CTSBCTSSCTSHCTSKCTSC | |
| Hydrochloric Acid SCHEMBL7362186 | 0.85 | CTSB (0.55) | CTSBCTSSCTSHCTSKCTSC |
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-5776718-A | Reversible protease inhibitors | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |