Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PBK | Q96KB5 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | 0.96 | METAP2 (0.38) | ADORA1ADORA3ADORA2AADORA2BMETAP2 | |
| SCHEMBL4050701 | 0.92 | PBK (0.41) | ADORA1ADORA3ADORA2AADORA2BMETAP2 | |
| SCHEMBL4055604 | 0.77 | METAP2 (0.35) | METAP2METAP1PBK | |
| SCHEMBL4044959 | 0.76 | EGLN1 (0.40) | PBK | |
| SCHEMBL30769516 | 0.74 | NPC1 (0.44) | ADORA1ADORA3ADORA2ANPC1RAB9A | |
| SCHEMBL4052899 | 0.74 | NPC1 (0.38) | ADORA1ADORA3ADORA2AADORA2BNPC1 | |
| SCHEMBL7583531 | 0.73 | NPY5R (0.54) | ADORA1ADORA3ADORA2AADORA2BMETAP2 | |
| SCHEMBL4040136 | 0.70 | AAK1 (0.43) | ADORA1ADORA2AADORA2BMETAP2METAP1 | |
| SCHEMBL3951535 | 0.70 | NPC1 (0.41) | ADORA1ADORA3ADORA2ANPC1RAB9A | |
| SCHEMBL31690853 | 0.70 | NPC1 (0.41) | ADORA1ADORA3ADORA2ANPC1RAB9A |
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 |