Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 8/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL3364484 | 0.81 | MAPT (0.52) | MAPTKMT2AKCNN4HTTCHRM1 | |
| SCHEMBL4757411 | 0.78 | KMT2A (0.48) | MAPTKMT2AKCNN4HTTCHRM1 | |
| SCHEMBL23995203 | 0.73 | KCNN4 (0.47) | MAPTKMT2AKCNN4LMNACYP2D6 | |
| SCHEMBL4063599 | 0.70 | CYP2C19 (0.44) | MAPTKMT2AKCNN4CHRM1CHRM4 | |
| SCHEMBL27270010 | 0.69 | KCNN4 (0.50) | KMT2AKCNN4HTTLMNAL3MBTL1 | |
| SCHEMBL2013207 | 0.68 | CYP2C19 (0.53) | KMT2AKCNN4HTTLMNACYP2C19 | |
| Trifluoromethylbenzene SCHEMBL10587298 | 0.68 | ALDH1A1 (0.56) | MAPTKMT2AKCNN4HTTCYP2C19 | |
| SCHEMBL2699401 | 0.68 | MAPT (0.48) | MAPTKMT2AKCNN4HTTCHRM1 | |
| SCHEMBL1822224 | 0.67 | MAPT (0.63) | MAPTKMT2AKCNN4HTTCYP2D6 | |
| SCHEMBL19413917 | 0.67 | TAAR1 (0.50) | KMT2AKCNN4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797032-A1 | POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N-(1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANESULFONYL-2(R)-[2,2,2-TRIFLUORO-1(S)-(4-FLUOROPHENYL)ETHYLAMINO]PROPIONAMIDE | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034006-A1 | POLYMORPHS OF THE CYSTEINE PROTEASE INHIBITOR N- (1-CYANOCYCLOPROPYL)-3-CYCLOPROPYLMETHANSULFONYL-2 (R) - (2,2,2-TRIFLUORO-1 (S) - (4-FLUOROPHENYL) ETHYLAMINO) PROPIONAMIDE | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-03-30 | — | — | WO | disclosed |