Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 15/20 | 0.56 |
| ▸ | PTGDR | Q13258 | 7/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | CCKAR | P32238 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | RB1 | P06400 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15428827 | 1.00 | PTGDR2 (0.56) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL15428824 | 0.89 | PTGDR2 (0.55) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL15428833 | 0.84 | PTGDR2 (0.51) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL15428825 | 0.82 | PTGDR2 (0.56) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL15428829 | 0.80 | PTGDR2 (0.42) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL2191234 | 0.79 | PTGDR (0.36) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL233948 | 0.79 | PTGDR2 (0.65) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 | |
| SCHEMBL13278872 | 0.78 | DRD2 (0.45) | PTGDR2PTGDRCYP2C9DRD2TMEM97 | |
| SCHEMBL2186860 | 0.78 | PTGDR2 (0.64) | PTGDR2PTGDRCYP2C9CYP3A4 | |
| SCHEMBL15436634 | 0.77 | PTGDR2 (0.52) | PTGDR2PTGDRCYP2C9TBXA2RCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346865-B1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK CANADA INC (CA) | 2015-07-15 | — | — | EP | disclosed |
| US-8637671-B2 | Indole derivatives as CRTH2 receptor antagonists | MERCK CANADA INC. (CA) | 2014-01-28 | — | — | US | disclosed |
| WO-2010031183-A1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK FROSST CANADA LTD. (CA) | 2010-03-25 | — | — | WO | disclosed |