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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8534561 | 0.79 | KMT2A (0.43) | LMNAALDH1A1CYP2C19MAPK1 | |
| SCHEMBL4374441 | 0.79 | CRBN (0.50) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL1712730 | 0.79 | — | — | |
| SCHEMBL1587460 | 0.79 | — | — | |
| SCHEMBL345069 | 0.78 | CYP2D6 (0.44) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL2417114 | 0.78 | CYP2D6 (0.44) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL2417117 | 0.78 | CYP2D6 (0.44) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL30197568 | 0.74 | ALDH1A1 (0.49) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL5566428 | 0.72 | CYP2D6 (0.48) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 | |
| SCHEMBL7669420 | 0.72 | CYP2D6 (0.48) | CYP2D6L3MBTL1LMNAALDH1A1CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817651-A | ANALGESICS, RHEUMATIC DISEASES, ANTIINFLAMMATORY AGENTS | SANOFI (FR) | 1998-10-06 | — | — | US | disclosed |
| US-5607933-A | METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |
| US-5324737-A | Analgesics, antirheumatic and antiinflammatory agents, glaucoma | STERLING WINTHROP INC. (US) | 1994-06-28 | — | — | US | disclosed |
| US-5068234-A | Analgesics, rheumatic diseases, antiinflammatory agents or antiglaucoma | STERLING DRUG INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0444451-A2 | 3-Arylcarbonyl-1H-indoles useful as therapeutic agents | STERLING WINTHROP INC. (US) | 1991-09-04 | — | — | EP | disclosed |