Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL187295 | 0.92 | CYP1A2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21387 | 0.81 | CYP4F2 (0.47) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL27966367 | 0.81 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11633678 | 0.80 | CYP1A2 (0.40) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21830 | 0.80 | CYP1A2 (0.44) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL14731557 | 0.80 | CYP1A2 (0.41) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL26600 | 0.80 | NR1I2 (0.37) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL21853321 | 0.79 | CYP1A2 (0.42) | CYP1A2GAAMGAMSIMGAM2 | |
| Bromide SCHEMBL14722907 | 0.78 | CYP1A2 (0.40) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL14731592 | 0.77 | CYP1A2 (0.39) | CYP1A2GAAMGAMSIMGAM2 |
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-2492267-B1 | Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |