Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20125043 | 0.76 | NOS3 (0.54) | NOS3NOS2NOS1CYP2A6CCR1 | |
| SCHEMBL8296665 | 0.76 | NOS3 (0.54) | NOS3NOS2NOS1CYP2A6CCR1 | |
| SCHEMBL20124974 | 0.76 | NOS3 (0.54) | NOS3NOS2NOS1CYP2A6CCR1 | |
| SCHEMBL25129348 | 0.70 | NOS3 (0.47) | NOS3NOS2NOS1CYP2A6CCR1 | |
| SCHEMBL8341793 | 0.68 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL19258550 | 0.68 | NOS3 (0.43) | NOS3NOS2NOS1CYP2A6CCR1 | |
| SCHEMBL20721716 | 0.68 | PLAU (0.44) | NOS3NOS2NOS1PLAU | |
| SCHEMBL20746021 | 0.68 | PLAU (0.44) | NOS3NOS2NOS1PLAU | |
| SCHEMBL31619921 | 0.68 | — | — | |
| SCHEMBL172774 | 0.68 | — | — |
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-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |