Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.48 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757888 | 1.00 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9757749 | 0.99 | SPHK1 (0.46) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9757739 | 0.99 | SPHK1 (0.46) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9758153 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9759248 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9758785 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9759302 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9759298 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9758141 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 | |
| SCHEMBL9759243 | 0.95 | SPHK1 (0.48) | SPHK1SPHK2CYP3A4CYP2C8S1PR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-01-25 | — | — | EP | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |