Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 12/20 | 0.52 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL15428825 | 0.80 | PTGDR2 (0.56) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL15428827 | 0.77 | PTGDR2 (0.56) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL3663657 | 0.77 | PTGDR2 (0.56) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL15428824 | 0.75 | PTGDR2 (0.55) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL253563 | 0.74 | PTGDR2 (0.49) | PTGDR2PTGDRCYP2C9 | |
| SCHEMBL2186860 | 0.73 | PTGDR2 (0.64) | PTGDR2PTGDRCYP2C9CYP3A4 | |
| SCHEMBL2188018 | 0.72 | PTGDR2 (0.63) | PTGDR2PTGDRCYP2C9CYP3A4 | |
| SCHEMBL15436295 | 0.72 | PTGDR2 (0.55) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL15436636 | 0.72 | PTGDR2 (0.55) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R | |
| SCHEMBL15428833 | 0.71 | PTGDR2 (0.51) | PTGDR2PTGDRCYP2C9CYP3A4TBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401269-B1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-29 | — | — | EP | disclosed |