Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4059999 | 0.77 | METAP2 (0.38) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL4054581 | 0.74 | ADORA1 (0.40) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL10143723 | 0.72 | SMN1; SMN2 (0.44) | PDK2PDK4CCNB2CDK1CCNB1 | |
| SCHEMBL31661037 | 0.70 | NPC1 (0.48) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL4050701 | 0.69 | PBK (0.41) | ADORA1ADORA3ADORA2AADORA2BPDK2 | |
| SCHEMBL3953497 | 0.69 | CSF1R (0.38) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL3949386 | 0.68 | BRD4 (0.40) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL25690928 | 0.67 | NPC1 (0.37) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL1375990 | 0.67 | METAP2 (0.41) | NPC1RAB9AADORA1ADORA3ADORA2A | |
| SCHEMBL3952312 | 0.67 | KDM4E (0.40) | NPC1RAB9AADORA1ADORA3ADORA2A |
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-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |