Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4054698 | 0.87 | ADORA3 (0.40) | ADORA3ADORA2AADORA2BADORA1METAP2 | |
| SCHEMBL4047234 | 0.83 | GPR84 (0.43) | METAP2METAP1ALDH1A1 | |
| SCHEMBL11830439 | 0.82 | TSHR (0.34) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL22962317 | 0.74 | PDE5A (0.48) | METAP2METAP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL22961994 | 0.73 | TLR8 (0.39) | ADORA3KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL22962333 | 0.73 | AURKA (0.39) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL4043723 | 0.71 | METAP2 (0.41) | ADORA3ADORA2AADORA2BADORA1METAP2 | |
| SCHEMBL22962315 | 0.70 | ADORA3 (0.34) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL5088882 | 0.69 | CYP1A2 (0.41) | SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL18923160 | 0.69 | CYP1A2 (0.41) | SMN1; SMN2ALDH1A1CYP3A4 |
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 |