Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SGPL1 | O95470 | 15/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 15/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL20813158 | 0.91 | S1PR1 (0.44) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL20813123 | 0.91 | S1PR1 (0.44) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL22404135 | 0.91 | S1PR1 (0.44) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL23369027 | 0.89 | SGPL1 (0.37) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL20812942 | 0.88 | S1PR1 (0.45) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL23368687 | 0.88 | SGPL1 (0.44) | SGPL1S1PR1DRD2DRD3 | |
| SCHEMBL23368869 | 0.88 | SGPL1 (0.44) | SGPL1S1PR1DRD2DRD3 | |
| SCHEMBL23368753 | 0.87 | SGPL1 (0.44) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL23369029 | 0.86 | SGPL1 (0.43) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 | |
| SCHEMBL20813125 | 0.85 | S1PR1 (0.42) | SGPL1S1PR1CYP3A4CYP2C8S1PR3 |
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-3183242-B1 | SUBSTITUTED BICYCLIC COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-05-19 | — | — | EP | disclosed |