Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.63 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1809788 | 0.81 | S1PR1 (0.64) | S1PR1S1PR3CYP3A4NPC1RAB9A | |
| SCHEMBL1805571 | 0.78 | S1PR1 (1.00) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1812863 | 0.75 | S1PR1 (0.62) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1811348 | 0.74 | S1PR1 (0.61) | S1PR1S1PR3MAPTALDH1A1KDM4E | |
| SCHEMBL1811956 | 0.73 | S1PR1 (0.74) | S1PR1S1PR3CYP2C8CYP1A2CYP2D6 | |
| SCHEMBL1808108 | 0.72 | RAB9A (0.45) | MAPTALDH1A1KDM4ENPC1NFKB1 | |
| SCHEMBL1813648 | 0.72 | S1PR1 (0.59) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1812823 | 0.72 | S1PR1 (0.86) | S1PR1S1PR3CYP3A4CYP2C8KCNH2 | |
| SCHEMBL17264640 | 0.69 | S1PR1 (0.57) | S1PR1CYP3A4MAPTALDH1A1KDM4E | |
| SCHEMBL1814073 | 0.69 | S1PR1 (0.71) | S1PR1S1PR3CYP3A4MAPTALDH1A1 |
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 |