Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.37 |
| ▸ | FEN1 | P39748 | 5/20 | 0.37 |
| ▸ | EDNRB | P24530 | 4/20 | 0.36 |
| ▸ | EDNRA | P25101 | 4/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | FES | P07332 | 1/20 | 0.33 |
| ▸ | FER | P16591 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.33 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6925557 | 0.77 | PTGS2 (0.44) | AKR1B1CASP1PTGS2EDNRBEDNRA | |
| SCHEMBL31463127 | 0.75 | AKR1B1 (0.56) | AKR1B1CASP1PTGS2EDNRBEDNRA | |
| SCHEMBL9306541 | 0.74 | ALOX5AP (0.57) | AKR1B1PTGS2ALOX5APFEN1OPRM1 | |
| SCHEMBL7077064 | 0.74 | AKR1B1 (0.41) | AKR1B1CASP1PTGS2EDNRBEDNRA | |
| SCHEMBL29233500 | 0.74 | AKR1B1 (0.41) | AKR1B1CASP1PTGS2EDNRBEDNRA | |
| SCHEMBL10836572 | 0.74 | AKR1B1 (0.39) | AKR1B1CASP1PTGS2ALOX5APFEN1 | |
| SCHEMBL9307372 | 0.74 | ALOX5AP (0.52) | CASP1ALOX5APFEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6698432 | 0.71 | ALOX5AP (0.58) | PTGS2ALOX5APFEN1EDNRBEDNRA | |
| SCHEMBL10782653 | 0.71 | ALOX5AP (0.44) | AKR1B1CASP1PTGS2ALOX5APFEN1 | |
| SCHEMBL10358183 | 0.71 | AKR1B1 (0.40) | AKR1B1CASP1PTGS2ALOX5APFEN1 |
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-1150979-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000047578-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |