Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL8719446 | 1.00 | CYP2C19 (0.41) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL30039999 | 0.81 | BCHE (0.50) | PDPK1MTORBCHEPSEN1PSEN2 | |
| SCHEMBL8714420 | 0.81 | SLC6A2 (0.48) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL8714419 | 0.81 | SLC6A2 (0.48) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL8718030 | 0.81 | SLC6A2 (0.48) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL12355183 | 0.80 | BCHE (0.40) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL402682 | 0.78 | PDPK1 (0.40) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL13295934 | 0.77 | CYP2C19 (0.41) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL15883976 | 0.75 | BCHE (0.47) | CYP2C19MAPTPDPK1MTORBCHE | |
| SCHEMBL403757 | 0.75 | BCHE (0.47) | PDPK1MTORBCHEALDH1A1SLC6A2 |
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-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |