Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL9668161 | 0.98 | PDE2A (0.56) | PDE2ACES2CES1CYP17A1CYP2C9 | |
| SCHEMBL2275457 | 0.92 | PDE2A (0.51) | PDE2ACES2CES1CYP17A1CYP2C9 | |
| SCHEMBL2275451 | 0.92 | PDE2A (0.51) | PDE2ACES2CES1CYP17A1CYP2C9 | |
| SCHEMBL2275455 | 0.92 | PDE2A (0.51) | PDE2ACES2CES1CYP17A1CYP2C9 | |
| SCHEMBL5698990 | 0.85 | CES2 (0.48) | PDE2ACES2CES1ACP3AKR1C3 | |
| SCHEMBL29400701 | 0.84 | CES2 (0.55) | PDE2ACES2CES1ACP3HSD11B1 | |
| SCHEMBL18285755 | 0.83 | PDE2A (0.46) | PDE2ACES2CES1CYP17A1CYP2C9 | |
| SCHEMBL24298277 | 0.82 | KDM4E (0.55) | PDE2ACES2CES1 | |
| SCHEMBL835747 | 0.82 | KDM4E (0.55) | PDE2ACES2CES1 | |
| SCHEMBL27765175 | 0.82 | KDM4E (0.55) | PDE2ACES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3284655-A | — | — | None | — | — | JP | disclosed |
| JP-H03284655-A | 2-METHYL-3-HYDROXY-3-(4-TRIFLUOROMETHYLPHENYL)-1-PROPYLAMINE DERIVATIVE | NIPPON KAYAKU CO LTD | 1991-12-16 | — | — | JP | disclosed |