Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 12/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5767227 | 1.00 | AKR1C3 (0.46) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL6094841 | 0.86 | PSEN1 (0.37) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL5768734 | 0.86 | CETP (0.42) | TACR1CES2ALDH1A1 | |
| SCHEMBL8692384 | 0.81 | AKR1C3 (0.63) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL5767221 | 0.80 | AKR1C3 (0.47) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL5766191 | 0.80 | AKR1C3 (0.47) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL6094846 | 0.78 | PSEN1 (0.35) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL6094844 | 0.78 | PSEN1 (0.35) | AKR1C3AKR1C2PSEN1PSEN2APH1B | |
| SCHEMBL5765948 | 0.74 | CHRM2 (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4024222 | 0.74 | CYP2C19 (0.56) | AKR1C3AKR1C2PSEN1PSEN2APH1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286967-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |