Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 6/20 | 0.41 |
| ▸ | MAOB | P27338 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10552563 | 0.84 | SHBG (0.43) | KDM1A | |
| SCHEMBL10551347 | 0.84 | KDM1A (0.37) | KDM1A | |
| SCHEMBL10552863 | 0.83 | SLC6A3 (0.38) | MAOBMAOA | |
| SCHEMBL10551904 | 0.82 | CYP2C9 (0.48) | KDM1AMAOBMAOAHDAC4HRH3 | |
| SCHEMBL10551299 | 0.81 | KDM1A (0.46) | KDM1AMAOBMAOA | |
| SCHEMBL10552024 | 0.80 | NQO1 (0.40) | KDM1AMAOBMAOAHPGD | |
| SCHEMBL10552712 | 0.80 | HRH3 (0.38) | KDM1AMAOBMAOAHRH3 | |
| SCHEMBL10551231 | 0.80 | SPHK1 (0.40) | — | |
| SCHEMBL10554787 | 0.79 | RAB9A (0.48) | MAOBMAOAHPGD | |
| SCHEMBL10551278 | 0.79 | CYP2C9 (0.48) | KDM1AMAOBMAOA |
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 |