Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | ESRRB | O95718 | 2/20 | 0.33 |
| ▸ | ESRRA | P11474 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1807245 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3NPC1RAB9ANR1H4 | |
| SCHEMBL12000564 | 0.75 | S1PR1 (0.43) | S1PR1S1PR3NPC1RAB9ANR1H4 | |
| SCHEMBL1807512 | 0.72 | S1PR1 (0.51) | S1PR1S1PR3 | |
| SCHEMBL1806468 | 0.72 | S1PR1 (0.63) | S1PR1S1PR3NPC1RAB9ATP53 | |
| SCHEMBL1805975 | 0.70 | S1PR1 (0.60) | S1PR1S1PR3 | |
| SCHEMBL1810561 | 0.69 | S1PR1 (0.63) | S1PR1S1PR3NPC1RAB9AMAPT | |
| SCHEMBL12000555 | 0.66 | NPC1 (0.42) | S1PR1S1PR3NPC1RAB9ATP53 | |
| SCHEMBL16301180 | 0.65 | S1PR1 (0.46) | S1PR1S1PR3NPC1RAB9AESR1 | |
| SCHEMBL5034617 | 0.64 | PPARA (0.43) | — | |
| SCHEMBL1813648 | 0.64 | S1PR1 (0.59) | S1PR1S1PR3NPC1RAB9ATP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2493866-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | Bristol-Myers Squibb Company (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011059784-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |