Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.79 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371497 | 1.00 | S1PR1 (0.80) | S1PR1CYP2C9CYP2D6CYP3A4MAPT | |
| SCHEMBL2186360 | 0.92 | S1PR1 (0.79) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372885 | 0.92 | S1PR1 (0.79) | S1PR1CYP2C9CYP2D6CYP3A4CFTR | |
| SCHEMBL1372649 | 0.92 | S1PR1 (0.83) | S1PR1CYP2C9CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL1375432 | 0.91 | S1PR1 (0.80) | S1PR1CYP2C9CYP2D6CYP3A4MAPT | |
| SCHEMBL2170438 | 0.91 | S1PR1 (0.80) | S1PR1CYP2C9CYP2D6CYP3A4MAPT | |
| SCHEMBL1372946 | 0.90 | S1PR1 (0.78) | S1PR1CYP2C9CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL2170959 | 0.90 | S1PR1 (0.78) | S1PR1CYP2C9CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL1373685 | 0.89 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4POLB | |
| SCHEMBL2170080 | 0.89 | S1PR1 (1.00) | S1PR1CYP2C9CYP2D6CYP3A4POLB |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |