Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9648402 | 0.84 | SPHK1 (0.47) | SPHK1 | |
| SCHEMBL9758199 | 0.84 | SPHK1 (0.47) | SPHK1 | |
| SCHEMBL9759172 | 0.83 | SPHK1 (0.59) | SPHK1ALDH1A1LMNA | |
| SCHEMBL9759147 | 0.83 | SPHK1 (0.52) | SPHK1 | |
| SCHEMBL9759166 | 0.83 | SPHK1 (0.59) | SPHK1ALDH1A1LMNA | |
| SCHEMBL9759197 | 0.83 | SPHK1 (0.56) | SPHK1 | |
| SCHEMBL9646135 | 0.83 | SPHK1 (0.49) | SPHK1 | |
| SCHEMBL9759205 | 0.83 | SPHK1 (0.56) | SPHK1 | |
| SCHEMBL9759141 | 0.83 | SPHK1 (0.52) | SPHK1 | |
| SCHEMBL9649381 | 0.83 | SPHK1 (0.49) | SPHK1 |
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 |