Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 14/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL2178282 | 0.86 | KDM4E (0.52) | BRD4KDM4EDAOCASP3TYMS | |
| SCHEMBL14765197 | 0.82 | MAPT (0.56) | BRD4KDM4EDAO | |
| SCHEMBL6304037 | 0.79 | HRH4 (0.56) | BRD4KDM4EDAOTYMS | |
| SCHEMBL14474327 | 0.79 | CASP3 (0.45) | BRD4CASP3TYMS | |
| SCHEMBL31180759 | 0.79 | KDM4E (0.62) | BRD4KDM4EDAOTYMS | |
| SCHEMBL6304503 | 0.79 | KDM4E (0.44) | BRD4KDM4E | |
| SCHEMBL2008567 | 0.78 | TYMS (0.49) | KDM4ETYMSKEAP1NFE2L2 | |
| SCHEMBL29778147 | 0.77 | KDM4E (0.49) | BRD4KDM4EDAOTYMS | |
| SCHEMBL30695515 | 0.77 | ALDH1A1 (0.58) | BRD4KDM4ETYMS | |
| SCHEMBL707140 | 0.77 | ALDH1A1 (0.58) | BRD4KDM4ETYMS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104148-A1 | SMALL MOLECULE PROBE BINDING TO α-SYNUCLEIN AGGREGATE AND APPLICATION THEREOF | 复旦大学 | 2023-06-15 | — | — | WO | disclosed |
| WO-2014139983-A1 | [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS | H. LUNDBECK A/S (DK) | 2014-09-18 | — | — | WO | disclosed |
| WO-2013034755-A1 | TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |