Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 3/20 | 0.44 |
| ▸ | SYK | P43405 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11462373 | 0.81 | CYP17A1 (0.47) | KDM4EALDH1A1HPGDHSD17B10DYRK1B | |
| SCHEMBL8435070 | 0.80 | KDM4E (1.00) | KDM4EALDH1A1HPGDMAPK1HSD17B10 | |
| SCHEMBL9468727 | 0.78 | KDM4E (0.65) | KDM4EALDH1A1HPGDMAPK1HSD17B10 | |
| SCHEMBL14881963 | 0.76 | KDM4E (0.72) | KDM4EALDH1A1HPGDMAPK1HSD17B10 | |
| SCHEMBL10335729 | 0.76 | RAB9A (0.48) | KDM4EALDH1A1HPGDTLR8PARP1 | |
| SCHEMBL4713948 | 0.75 | BRAF (0.77) | BRAF | |
| SCHEMBL4709669 | 0.73 | KDM4E (0.52) | KDM4EALDH1A1HPGDHSD17B10TLR8 | |
| SCHEMBL11473815 | 0.73 | CYP17A1 (0.51) | KDM4EALDH1A1HPGDHSD17B10DYRK1B | |
| SCHEMBL4655997 | 0.73 | BRAF (0.56) | BRAF | |
| SCHEMBL3172240 | 0.71 | KDM4E (0.80) | KDM4ETLR8BRAF |
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 |
|---|---|---|---|---|---|---|---|
| US-5013737-A | Hypotensive, anxiolytic, cognitive disorders | AMERICAN CYANAMID COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| US-4916137-A | 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | disclosed |