Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10557377 | 1.00 | SPHK1 (0.46) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10551231 | 0.96 | SPHK1 (0.40) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10551984 | 0.94 | SPHK1 (0.46) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10552933 | 0.93 | SPHK1 (0.48) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10556730 | 0.92 | SPHK1 (0.43) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10552863 | 0.90 | SLC6A3 (0.38) | SPHK1SLC6A3ALDH1A1LMNAACHE | |
| SCHEMBL10549663 | 0.90 | SPHK1 (0.42) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10549656 | 0.90 | SPHK1 (0.42) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10605494 | 0.90 | SPHK1 (0.42) | SPHK1S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL10607754 | 0.90 | SPHK1 (0.42) | SPHK1S1PR2S1PR4S1PR1S1PR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215120-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-08-23 | — | — | EP | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |
| EP-0215120-A1 | CYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1987-03-25 | — | — | EP | disclosed |
| WO-1986005486-A1 | CYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-09-25 | — | — | WO | disclosed |