Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | DDT | P30046 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5244376 | 0.95 | PSEN1 (0.41) | HPGDALDH1A1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL5247395 | 0.94 | DDT (0.43) | HPGDALDH1A1KDM4EPSEN1PSEN2 | |
| SCHEMBL5244424 | 0.93 | DDT (0.52) | CYP1A2CYP2D6CYP2C19CYP3A4PSEN1 | |
| SCHEMBL5246799 | 0.92 | PSEN1 (0.41) | HPGDALDH1A1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL5244706 | 0.90 | ROCK2 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5247966 | 0.89 | EPHX2 (0.43) | CYP1A2CYP2C19 | |
| SCHEMBL5246767 | 0.89 | MIF (0.47) | HPGDALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5244462 | 0.88 | MAPT (0.40) | GAABRD4 | |
| SCHEMBL5248368 | 0.88 | NAMPT (0.40) | HPGDALDH1A1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL5248742 | 0.88 | DDT (0.39) | HPGDALDH1A1KDM4EPSEN1PSEN2 |
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-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |