Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.56 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
| ▸ | NTSR1 | P30989 | 13/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845946 | 0.83 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL3844439 | 0.83 | SLC2A1 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL3847438 | 0.78 | SLC2A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL6180565 | 0.71 | PDE3A (0.76) | PDE10A | |
| SCHEMBL15818490 | 0.69 | NTSR1 (0.74) | ALDH1A1NTSR1 | |
| SCHEMBL15819531 | 0.68 | NTSR1 (1.00) | ALDH1A1NTSR1 | |
| SCHEMBL20675594 | 0.68 | NTSR1 (0.79) | NTSR1 | |
| SCHEMBL4363770 | 0.68 | GAK (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL30734162 | 0.68 | IRAK4 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19LMNA | |
| SCHEMBL17376138 | 0.67 | NTSR1 (0.77) | NTSR1 |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |