Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.42 |
| ▸ | FEN1 | P39748 | 4/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17184105 | 0.82 | MAOB (0.46) | AKR1C3AKR1C2ALOX5APFEN1PTPRC | |
| SCHEMBL28677957 | 0.82 | HTR7 (0.46) | MAPTTP53ACHEBRD4CREBBP | |
| SCHEMBL12330295 | 0.82 | TNKS (0.57) | AKR1C3AKR1C2ALOX5APFEN1TNKS | |
| SCHEMBL19935596 | 0.79 | TNKS (0.54) | AKR1C3AKR1C2ALOX5APFEN1TNKS | |
| SCHEMBL27363344 | 0.79 | TNKS (0.43) | AKR1C3AKR1C2MAPTTP53ALOX5AP | |
| SCHEMBL15314774 | 0.78 | TNKS (0.42) | AKR1C3AKR1C2MAPTTP53ALOX5AP | |
| SCHEMBL29280128 | 0.78 | PTPRC (0.43) | ALOX5APFEN1PTPRCPTPN1PTGS1 | |
| SCHEMBL28609832 | 0.78 | ALDH1A1 (0.40) | MAPTTP53AR | |
| SCHEMBL10091244 | 0.76 | PGR (0.44) | AKR1C3AKR1C2ALOX5APFEN1TNKS | |
| SCHEMBL22149192 | 0.76 | BRD4 (0.44) | AKR1C3AKR1C2ALOX5APFEN1TNKS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005032490-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |