Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.51 |
| ▸ | NOS1 | P29475 | 2/20 | 0.51 |
| ▸ | NOS2 | P35228 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6643026 | 0.89 | NOS3 (0.51) | NOS3NOS1NOS2PGRALDH1A1 | |
| SCHEMBL6643304 | 0.84 | NOS3 (0.50) | NOS3NOS1NOS2PGRALDH1A1 | |
| SCHEMBL6644155 | 0.81 | LMNA (0.43) | NOS3NOS1NOS2PGRALDH1A1 | |
| SCHEMBL11427314 | 0.76 | PGR (0.72) | PGRALDH1A1GAACAPN9CASP3 | |
| SCHEMBL6640591 | 0.76 | NOS3 (0.44) | NOS3NOS1NOS2ABCC8KCNJ11 | |
| SCHEMBL6137367 | 0.76 | SIRT2 (0.50) | NOS3NOS1NOS2PGRABCC8 | |
| SCHEMBL6069995 | 0.76 | NOS3 (0.45) | NOS3NOS1NOS2ALDH1A1CYP3A4 | |
| SCHEMBL6645803 | 0.76 | NOS3 (0.44) | NOS3NOS1NOS2ALDH1A1MEN1 | |
| SCHEMBL6643002 | 0.75 | MAPK1 (0.38) | NOS3NOS1NOS2ALDH1A1GAA | |
| SCHEMBL6646342 | 0.73 | NOS3 (0.50) | NOS3NOS1NOS2GAAHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |