Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | FDPS | P14324 | 3/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | TPI1 | P60174 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19509501 | 0.81 | LPAR3 (0.46) | GRM4LPAR3LPAR2LPAR1SMPD1 | |
| Hexadecyl Dihydrogen Phosphate SCHEMBL28355737 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| SCHEMBL28359739 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| SCHEMBL28359635 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| Phosphoric Acid Monododecyl Ester SCHEMBL28355227 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| Phosphoric Acid Monotetradecyl Ester SCHEMBL28359653 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| SCHEMBL28355724 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| SCHEMBL28355649 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| SCHEMBL28355550 | 0.78 | LPAR3 (0.70) | LPAR3LPAR2LPAR1SMPD1FDPS | |
| Phosphocholine SCHEMBL23270965 | 0.77 | LPAR3 (0.41) | GRM4LPAR3LPAR2LPAR1SMPD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9567358-B2 | Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide | ASTRAZENECA AB (SE) | 2017-02-14 | — | — | US | disclosed |