Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 6/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757820 | 0.92 | CYP2C9 (0.47) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758672 | 0.92 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9757727 | 0.91 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758769 | 0.91 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9757625 | 0.90 | CYP2C9 (0.38) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9757914 | 0.89 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758425 | 0.89 | SPHK1 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758456 | 0.86 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758370 | 0.86 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758364 | 0.86 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |