Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28128634 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL28128314 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL28128317 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL28751840 | 0.80 | TP53 (0.50) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL27585454 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL1935939 | 0.76 | CYP2D6 (0.50) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15797380 | 0.71 | HRH3 (0.59) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL27548002 | 0.71 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL14831525 | 0.69 | ALDH1A1 (0.55) | CYP1A2CYP2C19CYP3A4HPGDMAPK1 | |
| SCHEMBL19601809 | 0.69 | ALDH1A1 (0.55) | CYP1A2CYP2C19CYP3A4HPGDMAPK1 |
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-106459008-A | Phosphatidylinositol 3-kinase inhibitors | 吉利德科学公司 | 2017-02-22 | — | — | CN | disclosed |