Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 13/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12000520 | 0.85 | S1PR1 (0.61) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1811924 | 0.76 | S1PR1 (0.59) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1812633 | 0.74 | S1PR1 (0.54) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1807074 | 0.74 | S1PR1 (0.61) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1812985 | 0.73 | S1PR1 (0.49) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1805003 | 0.66 | S1PR1 (1.00) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1810884 | 0.66 | S1PR1 (0.74) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1808961 | 0.65 | S1PR1 (0.59) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1812999 | 0.65 | S1PR1 (1.00) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1813542 | 0.65 | S1PR1 (1.00) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 |
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-2011059784-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |