Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.51 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.51 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311427 | 0.94 | MAPT (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| SCHEMBL6430844 | 0.93 | ALDH1A1 (0.48) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| Dodecane SCHEMBL11158478 | 0.91 | EPHX2 (0.51) | — | |
| SCHEMBL8354813 | 0.88 | PDE4A (0.49) | — | |
| SCHEMBL14722421 | 0.87 | PRSS1 (0.46) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| SCHEMBL12824881 | 0.86 | BIRC5 (0.45) | S1PR2S1PR1S1PR3LPAR2ALDH1A1 | |
| SCHEMBL13250648 | 0.84 | FDPS (0.49) | ALDH1A1HPGD | |
| SCHEMBL7315399 | 0.83 | CALM1 (0.56) | ALDH1A1HPGD | |
| SCHEMBL77974 | 0.81 | CA2 (0.61) | ALDH1A1 | |
| SCHEMBL10427981 | 0.81 | S1PR2 (0.57) | S1PR2S1PR1S1PR3LPAR2THRA |
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 |
|---|---|---|---|---|---|---|---|
| US-4438131-A | CARDIOVASCULAR DISORDERS | BASF AKTIENGESELLSCHAFT (DE) | 1984-03-20 | — | — | US | disclosed |
| EP-0064158-A1 | Omega-cyano-1, omega-diphenyl azalcane derivatives, their preparation and pharmaceutical preparations containing them | BASF Aktiengesellschaft (DE) | 1982-11-10 | — | — | EP | disclosed |