Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870279 | 0.84 | HTT (0.40) | PARP1JAK2FGFR1FGFR2FGFR3 | |
| SCHEMBL8337425 | 0.79 | KDM4E (0.52) | KDM4EPARP1JAK2SYKNPC1 | |
| SCHEMBL9870769 | 0.69 | KDM4E (0.43) | KDM4ENPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL10553009 | 0.68 | CTSK (0.38) | KDM4ECYP1A2CYP3A4CYP2C19HPGD | |
| SCHEMBL9870529 | 0.67 | KDM4E (0.67) | KDM4EPARP1JAK2SYKHPGD | |
| SCHEMBL10690360 | 0.67 | KDM4E (0.47) | KDM4ENPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL8435070 | 0.67 | KDM4E (1.00) | KDM4EHPGDALDH1A1MAPK1HSD17B10 | |
| SCHEMBL8337977 | 0.67 | TLR8 (0.50) | PARP1JAK2FGFR1FGFR2FGFR3 | |
| SCHEMBL10554628 | 0.67 | CNR2 (0.44) | KDM4ENPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL9869026 | 0.66 | KDM4E (0.46) | KDM4ESYKMAPK1 |
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 |