Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.45 |
| ▸ | SGPL1 | O95470 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20739602 | 1.00 | S1PR1 (0.47) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL20722186 | 1.00 | S1PR1 (0.47) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| Hydrochloric Acid SCHEMBL23357623 | 0.99 | S1PR1 (0.46) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| Hydrochloric Acid SCHEMBL23357630 | 0.99 | S1PR1 (0.46) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL23384401 | 0.86 | S1PR3 (0.45) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL23384389 | 0.86 | S1PR3 (0.45) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL23384416 | 0.83 | S1PR1 (0.53) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL12388154 | 0.82 | CYP3A4 (0.48) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL12388155 | 0.82 | CYP3A4 (0.48) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 | |
| SCHEMBL20722201 | 0.79 | S1PR3 (0.49) | S1PR1S1PR3CYP3A4CYP2C8SGPL1 |
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-2019032631-A1 | OXIME ETHER COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-02-14 | — | — | WO | disclosed |