Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7026499 | 0.97 | SPHK1 (0.33) | SPHK1CTSKCTSC | |
| SCHEMBL7024042 | 0.95 | SPHK1 (0.34) | SPHK1CYP3A4CYP2C8S1PR3CTSK | |
| SCHEMBL10501488 | 0.93 | SPHK1 (0.36) | SPHK1CYP3A4CTSKCTSCSPHK2 | |
| SCHEMBL10501345 | 0.93 | SPHK1 (0.33) | SPHK1CYP3A4CYP2C8S1PR3CTSK | |
| SCHEMBL10503119 | 0.93 | SPHK1 (0.33) | SPHK1CYP3A4CYP2C8S1PR3CTSK | |
| SCHEMBL10501360 | 0.93 | SPHK1 (0.33) | SPHK1CYP3A4CYP2C8S1PR3CTSK | |
| SCHEMBL7029802 | 0.93 | CYP2C9 (0.34) | SPHK1CTSKCTSC | |
| SCHEMBL10501474 | 0.93 | SPHK1 (0.36) | SPHK1CYP3A4CTSKCTSCSPHK2 | |
| SCHEMBL10503112 | 0.93 | SPHK1 (0.33) | SPHK1CYP3A4CYP2C8S1PR3CTSK | |
| SCHEMBL7033650 | 0.92 | CA2 (0.33) | SPHK1CTSKCTSC |
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-0754668-B1 | Fluorobenzylether derivatives | ROLIC AG (CH) | 2003-02-05 | — | — | EP | disclosed |
| EP-0754668-A2 | Fluorobenzylether derivatives | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |