Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757727 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9757914 | 0.95 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758456 | 0.95 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758277 | 0.93 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9759324 | 0.92 | SPHK1 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758770 | 0.92 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758961 | 0.91 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758523 | 0.91 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9758739 | 0.90 | SPHK1 (0.38) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9757855 | 0.90 | SPHK1 (0.41) | 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 |