Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | TSHR | P16473 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28148240 | 0.89 | ALOX5AP (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL28148239 | 0.88 | ALOX5AP (0.49) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL28871485 | 0.86 | CYP2C19 (0.49) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL319950 | 0.73 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL18069431 | 0.73 | PIK3CA (0.52) | MEN1KMT2AKDM4E | |
| SCHEMBL26174864 | 0.72 | MAP4K1 (0.53) | CYP3A4MAPK1MET | |
| SCHEMBL28018836 | 0.72 | PIK3CD (0.48) | ALDH1A1 | |
| SCHEMBL28018837 | 0.71 | LCK (0.50) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL22915090 | 0.70 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6ALDH1A1TSHR | |
| SCHEMBL15637813 | 0.69 | PIK3CD (0.45) | ALDH1A1CLK4 |
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-106588871-B | A kind of 2- substituted pyridinyl quinazolinone analog derivative, its preparation method and use | 贵州大学 | 2019-04-16 | — | — | CN | disclosed |