Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY14 | Q15391 | 10/20 | 0.63 |
| ▸ | P2RY2 | P41231 | 6/20 | 0.62 |
| ▸ | P2RY6 | Q15077 | 6/20 | 0.62 |
| ▸ | P2RY4 | P51582 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | OGT | O15294 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | B4GALT1 | P15291 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14985207 | 0.85 | P2RY14 (0.58) | P2RY14P2RY2P2RY6P2RY4B4GALT1 | |
| SCHEMBL30679825 | 0.84 | ALDH1A1 (0.56) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL433510 | 0.84 | ALDH1A1 (0.56) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL15210143 | 0.83 | P2RY14 (0.56) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL20281034 | 0.83 | ALDH1A1 (0.61) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL12128071 | 0.81 | MAPK1 (0.55) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL12130255 | 0.81 | MAPK1 (0.55) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL15334201 | 0.79 | ALDH1A1 (0.61) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL7152633 | 0.79 | ALDH1A1 (0.61) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 | |
| SCHEMBL5679031 | 0.79 | ALDH1A1 (0.61) | P2RY14P2RY2P2RY6P2RY4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013078138-A1 | PROTON NMR SPECTROSCOPY FOR BIOCHEMICAL SCREENING | OSI Pharmaceuticals, LLC (US) | 2013-05-30 | — | — | WO | disclosed |