Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 6/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.34 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 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 | |
|---|---|---|---|---|
| SCHEMBL566500 | 0.84 | S1PR1 (0.35) | S1PR1S1PR3 | |
| SCHEMBL566429 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL567052 | 0.81 | S1PR1 (0.59) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL10139272 | 0.77 | S1PR1 (0.39) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| Hydrochloric Acid SCHEMBL566087 | 0.76 | S1PR1 (0.39) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL822473 | 0.74 | — | — | |
| SCHEMBL10171069 | 0.73 | S1PR1 (0.57) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL565912 | 0.70 | S1PR1 (0.83) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL10139273 | 0.69 | S1PR1 (0.43) | S1PR1S1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL566953 | 0.68 | HDAC11 (0.33) | S1PR1CYP3A4CYP2D6PPARGPPARA |
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-2010042998-A1 | S1P RECEPTORS MODULATORS | AKAAL PHARMA PTY LTD (AU) | 2010-04-22 | — | — | WO | claimed |