Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | NOS2 | P35228 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326986 | 0.84 | NOS1 (0.54) | NUDT1CYP2C9NOS1NOS2HCAR2 | |
| SCHEMBL4773954 | 0.83 | NUDT1 (0.59) | NUDT1CYP2C9NOS1NOS2POLB | |
| SCHEMBL246326 | 0.83 | PDE5A (0.53) | NUDT1CYP2C9NOS1NOS2HCAR2 | |
| SCHEMBL3960231 | 0.80 | CYP2C9 (0.57) | NUDT1CYP2C9NOS1NOS2METAP1 | |
| SCHEMBL9597011 | 0.80 | CYP2C9 (0.53) | NUDT1CYP2C9NOS1NOS2POLB | |
| SCHEMBL9570423 | 0.80 | CYP2C9 (0.53) | NUDT1CYP2C9NOS1NOS2HCAR2 | |
| SCHEMBL24823966 | 0.80 | NUDT1 (0.45) | NUDT1CYP2C9NOS1NOS2METAP1 | |
| SCHEMBL7002580 | 0.79 | NUDT1 (0.58) | NUDT1CYP2C9NOS1NOS2POLB | |
| SCHEMBL8325044 | 0.79 | DAGLA (0.53) | NUDT1CYP2C9NOS1NOS2HCAR2 | |
| SCHEMBL21101319 | 0.78 | CXCR4 (0.48) | NUDT1CYP2C9NOS1NOS2DRD4 |
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-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |
| US-6514964-B1 | Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors | AMGEN INC. | 2003-02-04 | — | — | US | disclosed |