Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL7548471 | 0.89 | MAPK13 (0.41) | NOS3NOS2NOS1NAPRTMAPK13 | |
| SCHEMBL8813141 | 0.88 | NAPRT (0.44) | NOS3NOS2NOS1NAPRTNPC1 | |
| SCHEMBL7553486 | 0.87 | ALDH1A1 (0.37) | NOS3NOS2NAPRTESR1ESR2 | |
| SCHEMBL8800986 | 0.79 | RECQL (0.48) | NAPRTNPC1RAB9AJAK2CDK2 | |
| SCHEMBL9063741 | 0.78 | NPC1 (0.39) | NOS3NOS2NOS1NAPRTNPC1 | |
| SCHEMBL8799820 | 0.78 | ALDH1A1 (0.40) | NAPRTNPC1MAPTMAPK13MAPK12 | |
| SCHEMBL7552945 | 0.78 | ALDH1A1 (0.49) | NAPRTMAPTCDK2GSK3BCDK5 | |
| SCHEMBL7549213 | 0.77 | L3MBTL1 (0.41) | NPC1RAB9AMAPTMAPK13MAPK12 | |
| SCHEMBL8798631 | 0.77 | RORB (0.47) | NPC1RAB9AMAPK13MAPK12CDK1 | |
| SCHEMBL7549390 | 0.77 | ALDH1A1 (0.50) | NAPRTJAK2CDK2CYP3A4KMT2A |
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-1996022295-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1996-11-14 | — | — | WO | disclosed |