Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950357 | 0.88 | JAK3 (0.38) | JAK3JAK2JAK1NOS1NOS2 | |
| SCHEMBL3949386 | 0.81 | BRD4 (0.40) | NOS1NOS2ADORA3ADORA1ADORA2A | |
| SCHEMBL3949234 | 0.79 | TSPO (0.38) | ADORA3ADORA1ADORA2ANPC1RAB9A | |
| SCHEMBL3952234 | 0.78 | ADORA3 (0.36) | ADORA3ADORA1ADORA2ANPC1RAB9A | |
| SCHEMBL3949356 | 0.78 | ADORA3 (0.39) | NOS1NOS2ADORA3ADORA1ADORA2A | |
| SCHEMBL30633389 | 0.78 | ADORA3 (0.39) | NOS1NOS2ADORA3ADORA1ADORA2A | |
| SCHEMBL3952077 | 0.78 | MAPT (0.38) | ADORA3ADORA1ADORA2ANPC1RAB9A | |
| SCHEMBL3948904 | 0.78 | PDK2 (0.37) | ADORA3ADORA1ADORA2ANPC1RAB9A | |
| SCHEMBL3957784 | 0.77 | ADORA2B (0.35) | NOS1NOS2ADORA3ADORA1ADORA2A | |
| SCHEMBL3950073 | 0.77 | ADORA3 (0.34) | ADORA3ADORA1ADORA2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |