Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29845257 | 0.88 | PARP1 (0.41) | PBK | |
| SCHEMBL24683422 | 0.88 | PARP1 (0.41) | PBK | |
| SCHEMBL3949234 | 0.83 | TSPO (0.38) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL3952234 | 0.81 | ADORA3 (0.36) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL30633389 | 0.81 | ADORA3 (0.39) | ADORA3ADORA2AADORA1DRD3TMEM97 | |
| SCHEMBL3949386 | 0.81 | BRD4 (0.40) | PDK2ADORA3ADORA2AADORA1NPC1 | |
| SCHEMBL3952077 | 0.81 | MAPT (0.38) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL3949356 | 0.81 | ADORA3 (0.39) | ADORA3ADORA2AADORA1DRD3TMEM97 | |
| SCHEMBL30769686 | 0.81 | PARP1 (0.42) | PBK | |
| Hydrochloric Acid SCHEMBL30769944 | 0.80 | CDK9 (0.38) | PBK |
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 |