Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10551347 | 0.84 | KDM1A (0.37) | ACHECYP2C9KDM1AALDH1A1LMNA | |
| SCHEMBL10552003 | 0.84 | KDM1A (0.41) | KDM1A | |
| SCHEMBL10552863 | 0.83 | SLC6A3 (0.38) | ACHECYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL10551278 | 0.82 | CYP2C9 (0.48) | CYP2C9KDM1AALDH1A1LMNAMAPT | |
| SCHEMBL10551904 | 0.82 | CYP2C9 (0.48) | CYP2C9KDM1AALDH1A1LMNAMAPT | |
| SCHEMBL10551299 | 0.82 | KDM1A (0.46) | CYP3A4KDM1AMAPTCYP2D6SLC6A3 | |
| SCHEMBL10552140 | 0.81 | CYP2C9 (0.64) | CYP2C9CYP3A4KDM1AALDH1A1LMNA | |
| SCHEMBL10552712 | 0.81 | HRH3 (0.38) | CYP2C9KDM1AMEN1MAPK1KMT2A | |
| SCHEMBL10552024 | 0.81 | NQO1 (0.40) | CYP2C9KDM1AALDH1A1MAPTMEN1 | |
| SCHEMBL10551231 | 0.81 | SPHK1 (0.40) | SLC6A3 |
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 |