Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL19783200 | 0.79 | NOS3 (0.37) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL19782749 | 0.77 | NOS3 (0.36) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL19782484 | 0.76 | NOS3 (0.35) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL10271472 | 0.69 | NQO2 (0.47) | NOS3NOS2 | |
| SCHEMBL10272989 | 0.69 | NQO2 (0.47) | NOS3NOS2 | |
| SCHEMBL24506815 | 0.67 | NOS2 (0.42) | NOS3NOS2 | |
| SCHEMBL30187684 | 0.67 | F2RL3 (0.63) | — | |
| SCHEMBL18753200 | 0.66 | CCR1 (0.36) | NOS3NOS2CCR1CCR5CCR8 | |
| SCHEMBL6464978 | 0.65 | NOS2 (0.70) | NOS3NOS2 | |
| SCHEMBL19783152 | 0.65 | KDM4E (0.32) | NOS3NOS2 |
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-2018013770-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |