Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26391853 | 0.81 | TSHR (0.53) | ALDH1A1GLATSHRMEN1KMT2A | |
| Diethylaniline SCHEMBL28333434 | 0.79 | MEN1 (0.59) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL11746154 | 0.74 | TSHR (0.50) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL3141234 | 0.74 | MEN1 (0.50) | ALDH1A1GLATSHRMEN1KMT2A | |
| Diethylaniline SCHEMBL11076069 | 0.73 | MEN1 (0.61) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL12639955 | 0.72 | LTA4H (0.51) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL12639958 | 0.72 | MEN1 (0.49) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL12961529 | 0.72 | LTA4H (0.51) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL9857416 | 0.72 | TSHR (0.52) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL11801659 | 0.72 | TSHR (0.52) | ALDH1A1GLATSHRMEN1KMT2A |
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 |