Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16183590 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16183585 | 0.91 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16183591 | 0.89 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475185 | 0.88 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14358570 | 0.87 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14474520 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16184135 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL14475911 | 0.82 | ABCG2 (0.56) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16183849 | 0.81 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 | |
| SCHEMBL16183584 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19HSD17B10CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103703001-A | Quinazolines as therapeutic compounds and related methods of use | OTSUKA PHARMA CO LTD | 2014-04-02 | — | — | CN | disclosed |