Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 4/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2096666 | 0.90 | SRD5A2 (0.59) | SRD5A2TAAR1IDO1LTA4HMAOB | |
| SCHEMBL168026 | 0.84 | ALDH1A1 (0.53) | TAAR1MAOBPAX8ALDH1A1KIF11 | |
| SCHEMBL16561361 | 0.82 | IDO1 (0.58) | TAAR1IDO1MAOBALDH1A1LOXL2 | |
| SCHEMBL1468357 | 0.82 | IDO1 (0.58) | TAAR1IDO1MAOBALDH1A1LOXL2 | |
| SCHEMBL5255445 | 0.81 | ALDH1A1 (0.59) | SRD5A2TAAR1IDO1LTA4HMAOB | |
| SCHEMBL1551304 | 0.80 | LTA4H (0.54) | TAAR1IDO1LTA4HMAOBPTPN5 | |
| Chloromethane SCHEMBL27654425 | 0.79 | PAX8 (0.48) | TAAR1MAOBPAX8ALDH1A1KIF11 | |
| SCHEMBL5511243 | 0.79 | SRD5A2 (0.50) | SRD5A2TAAR1IDO1LTA4HMAOB | |
| SCHEMBL7938407 | 0.79 | IDO1 (0.41) | SRD5A2TAAR1IDO1PTPN5LOXL2 | |
| SCHEMBL16155871 | 0.79 | BCHE (0.53) | SRD5A2TAAR1IDO1LTA4HMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974847-A | 3- (1,2,3-triazole-4-yl) tetrahydroquinazoline-2,4-diketone derivative and preparation method and application thereof | 中国药科大学 | 2023-04-18 | — | — | CN | disclosed |
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |