Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LPAR1 | Q92633 | 7/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 4/20 | 0.45 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.44 |
| ▸ | LPAR4 | Q99677 | 2/20 | 0.43 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phosphocholine SCHEMBL3713381 | 0.87 | S1PR1 (0.53) | S1PR1ALDH1A1LPAR1LPAR2LPAR3 | |
| SCHEMBL6665594 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CNR1CNR2 | |
| SCHEMBL7194283 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CNR1CNR2 | |
| SCHEMBL6718800 | 0.86 | ALDH1A1 (0.57) | ALDH1A1CNR1CNR2 | |
| Phosphocholine SCHEMBL28007022 | 0.85 | LPAR1 (0.50) | S1PR1ALDH1A1LPAR1LPAR2LPAR3 | |
| Phosphocholine SCHEMBL9131205 | 0.83 | LPAR1 (0.52) | S1PR1ALDH1A1LPAR1LPAR2LPAR3 | |
| Phosphocholine SCHEMBL5087547 | 0.83 | ALDH1A1 (0.56) | S1PR1ALDH1A1LPAR1CNR1CNR2 | |
| SCHEMBL30719072 | 0.83 | DGKA (0.51) | ALDH1A1CNR1CNR2 | |
| SCHEMBL2449830 | 0.83 | ALDH1A1 (0.56) | S1PR1ALDH1A1 | |
| SCHEMBL872972 | 0.83 | ALDH1A1 (0.56) | S1PR1ALDH1A1 |
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-2605763-A1 | TREATMENT | Jalan, Rajiv (GB) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012022939-A1 | TREATMENT | JALAN RAJIV (GB) | 2012-02-23 | — | — | WO | disclosed |