Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | AOC1 | P19801 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8308042 | 0.78 | CYP3A4 (0.52) | GRM5ADKCYP3A4CYP2C9FFAR1 | |
| SCHEMBL26703114 | 0.73 | MAPT (0.60) | GRM5CYP3A4CYP2C9KMT2AKDM4E | |
| SCHEMBL2491796 | 0.72 | GRM5 (0.55) | GRM5ADKFFAR1KMT2AKDM4E | |
| SCHEMBL3617836 | 0.71 | CYP2A6 (0.57) | GRM5CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL3762813 | 0.70 | GRM5 (0.40) | GRM5CYP3A4CYP2C9AOC1AOC3 | |
| SCHEMBL29870866 | 0.70 | GRM5 (0.40) | GRM5CYP3A4CYP2C9AOC1AOC3 | |
| Charcoal, Activated SCHEMBL31286311 | 0.70 | GRM5 (0.53) | GRM5ADKFFAR1KMT2AKDM4E | |
| SCHEMBL15834776 | 0.69 | GRM5 (0.44) | GRM5ADKCYP1A2 | |
| SCHEMBL26426498 | 0.68 | GRM5 (0.49) | GRM5CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL23291757 | 0.67 | FFAR1 (0.41) | FFAR1KDM4EALDH1A1MAPTTHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114133388-A | 1- (condensed aryl) -pyrrole [2,3-c ] pyridine derivative and synthetic method thereof | 湖南第一师范学院 | 2022-03-04 | — | — | CN | claimed |
| CN-114133388-A | 1- (condensed aryl) -pyrrole [2,3-c ] pyridine derivative and synthetic method thereof | 湖南第一师范学院 | 2022-03-04 | — | — | CN | disclosed |