Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8797214 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL6604030 | 0.75 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL28020315 | 0.68 | MEN1 (0.36) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL21590184 | 0.68 | MC4R (0.50) | CYP2D6SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4811226 | 0.67 | KEAP1 (0.38) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL12513459 | 0.65 | MC4R (0.52) | CYP2D6TSHRSLC6A2SLC6A3SLC6A4 | |
| SCHEMBL8278787 | 0.65 | DPP4 (0.73) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL3470666 | 0.65 | DPP4 (0.73) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL3472246 | 0.63 | DPP4 (0.50) | CYP1A2CYP2C19CYP3A4CYP2D6TSHR | |
| SCHEMBL9625233 | 0.62 | L3MBTL1 (0.54) | CYP2D6TSHRSLC6A2MEN1ALDH1A1 |
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-103354809-A | Arylurea compound, intermediate and use thereof | SHANGHAI INST PHARM INDUSTRY | 2013-10-16 | — | — | CN | disclosed |