Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28192050 | 0.86 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL27779569 | 0.84 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL27775362 | 0.84 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL5514416 | 0.76 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL28078294 | 0.76 | — | — | |
| SCHEMBL2123184 | 0.73 | FFAR3 (0.41) | CYP3A4 | |
| SCHEMBL28131045 | 0.72 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL27675713 | 0.70 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL27622188 | 0.70 | GRM4 (0.36) | CYP3A4 | |
| SCHEMBL27494957 | 0.70 | GRM4 (0.36) | CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106459062-A | Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors | 达特神经科学(开曼)有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-105980387-A | Serine/threonine kinase inhibitors | 阵列生物制药公司 | 2016-09-28 | — | — | CN | claimed |
| CN-107074861-A | 9H pyrimido [4,5-B ] indoles and related analogs as BET bromodomain inhibitors | 密执安大学评议会 | 2017-08-18 | — | — | CN | disclosed |
| CN-107001259-A | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106459062-A | Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors | 达特神经科学(开曼)有限公司 | 2017-02-22 | — | — | CN | disclosed |