Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 4/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4698005 | 0.90 | CYP2D6 (0.41) | XDHS1PR1S1PR5CYP2C9RORC | |
| SCHEMBL12188720 | 0.85 | CYP2A6 (0.39) | — | |
| SCHEMBL932494 | 0.85 | S1PR1 (0.47) | XDHS1PR1S1PR5RORCP2RX3 | |
| SCHEMBL31470411 | 0.85 | XDH (0.45) | XDHS1PR1S1PR5P2RX3 | |
| SCHEMBL1919413 | 0.85 | XDH (0.48) | XDHS1PR1S1PR5 | |
| SCHEMBL31185537 | 0.85 | XDH (0.48) | XDHS1PR1S1PR5 | |
| SCHEMBL20057756 | 0.84 | XDH (0.42) | XDHS1PR1S1PR5RORCP2RX3 | |
| SCHEMBL26179844 | 0.84 | S1PR1 (0.46) | XDHS1PR1S1PR5 | |
| SCHEMBL10014102 | 0.82 | CYP2A6 (0.52) | CYP2C9 | |
| SCHEMBL6948018 | 0.81 | XDH (0.45) | XDHS1PR1S1PR5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017004610-A1 | TERCYCLIC S1P3-SPARING, S1P1 RECEPTOR AGONISTS | EXELIXIS, INC. (US) | 2017-01-05 | — | — | WO | disclosed |
| EP-0482771-B1 | Heterocyclic acids | ZENECA LTD (GB) | 1997-06-18 | — | — | EP | disclosed |
| US-5410064-A | Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-04-25 | — | — | US | disclosed |
| US-5219874-A | Heterocyclic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-06-15 | — | — | US | disclosed |