Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | GBA1 | P04062 | 12/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | LATS1 | O95835 | 1/20 | 0.42 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14727590 | 0.91 | CYP1A2 (0.59) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL17214441 | 0.89 | CYP1A2 (0.66) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14474077 | 0.86 | CYP1A2 (0.65) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14475208 | 0.84 | CYP1A2 (0.64) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL16183550 | 0.83 | CYP1A2 (0.58) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14475027 | 0.82 | CYP1A2 (0.65) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14727592 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14727535 | 0.82 | CYP1A2 (0.65) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL20273720 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 | |
| SCHEMBL14475165 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2D6CLK4CYP3A4CYP2C9 |
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-3056207-A1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2016-08-17 | — | — | EP | disclosed |