Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4718040 | 0.81 | CYP2C9 (0.45) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL4716249 | 0.79 | POLB (0.66) | POLBHTT | |
| SCHEMBL4719992 | 0.77 | NUDT1 (0.53) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL8326986 | 0.77 | NOS1 (0.54) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL9570423 | 0.76 | CYP2C9 (0.53) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL246326 | 0.76 | PDE5A (0.53) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL8325044 | 0.75 | DAGLA (0.53) | CYP2C9NOS1NOS2HCAR2NUDT1 | |
| SCHEMBL9597011 | 0.73 | CYP2C9 (0.53) | CYP2C9NOS1NOS2NUDT1DAGLA | |
| SCHEMBL3960231 | 0.73 | CYP2C9 (0.57) | CYP2C9NOS1NOS2NUDT1DRD4 | |
| SCHEMBL24823966 | 0.73 | NUDT1 (0.45) | CYP2C9NOS1NOS2NUDT1DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |