Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9648146 | 1.00 | ESR2 (0.41) | ESR2SPHK1NPSR1DRD2SPHK2 | |
| SCHEMBL9716013 | 0.95 | ESR2 (0.38) | ESR2SPHK1NPSR1DRD2SPHK2 | |
| SCHEMBL9716008 | 0.95 | ESR2 (0.38) | ESR2SPHK1NPSR1DRD2SPHK2 | |
| SCHEMBL9649111 | 0.91 | SPHK1 (0.40) | ESR2SPHK1NPSR1SPHK2 | |
| SCHEMBL9757949 | 0.90 | SPHK1 (0.44) | ESR2SPHK1SPHK2 | |
| SCHEMBL9715891 | 0.90 | SPHK1 (0.44) | ESR2SPHK1SPHK2 | |
| SCHEMBL9648402 | 0.89 | SPHK1 (0.47) | ESR2SPHK1SPHK2 | |
| SCHEMBL9758199 | 0.89 | SPHK1 (0.47) | ESR2SPHK1SPHK2 | |
| SCHEMBL9758949 | 0.89 | SPHK1 (0.46) | ESR2SPHK1SPHK2 | |
| SCHEMBL9758955 | 0.89 | SPHK1 (0.46) | ESR2SPHK1SPHK2 |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |