Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6468184 | 1.00 | CES1 (0.46) | CES1FAAHNCEH1GRM2GRM3 | |
| Trifluoroacetic Acid SCHEMBL6466295 | 0.91 | CES1 (0.45) | CES1FAAHNCEH1GRM2GRM3 | |
| SCHEMBL7413504 | 0.72 | DAGLA (0.48) | CES1FAAHGRM2GRM3HPGD | |
| SCHEMBL28351262 | 0.72 | CES1 (0.51) | CES1FAAHNCEH1HPGDMAOA | |
| SCHEMBL27917989 | 0.69 | LTA4H (0.57) | MAOAALOX5 | |
| SCHEMBL7169133 | 0.68 | POLB (0.44) | GRM2GRM3MAOA | |
| SCHEMBL14796960 | 0.68 | GRM2 (0.44) | GRM2GRM3MAOAHTR3A | |
| SCHEMBL344823 | 0.68 | CES1 (0.46) | CES1FAAHNCEH1HPGDMAOA | |
| SCHEMBL27918199 | 0.67 | HSP90AA1 (0.46) | GRM2GRM3MAOAHTR3A | |
| SCHEMBL10538923 | 0.66 | HDAC3 (0.50) | MAOAHTR3A |
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-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |