Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 4/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CCKBR | P32239 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5037204 | 0.81 | NOTUM (0.36) | HCAR1OPRD1OPRM1CCKBR | |
| SCHEMBL14286148 | 0.76 | MAPK1 (0.42) | ALDH1A1 | |
| SCHEMBL5037077 | 0.76 | ALDH1A1 (0.36) | HCAR1ALDH1A1 | |
| SCHEMBL5034026 | 0.75 | MAPK7 (0.42) | ALDH1A1 | |
| SCHEMBL5783543 | 0.74 | MELK (0.39) | — | |
| SCHEMBL4833142 | 0.73 | PRKD3 (0.46) | HCAR1ALDH1A1 | |
| SCHEMBL5778888 | 0.72 | TNKS (0.42) | — | |
| SCHEMBL5820058 | 0.72 | CNR2 (0.39) | — | |
| SCHEMBL5781543 | 0.71 | CNR2 (0.52) | — | |
| SCHEMBL14286139 | 0.71 | ROCK2 (0.40) | — |
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-1664043-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028475-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |