Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 18/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL8920225 | 1.00 | SYK (0.43) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8918506 | 0.83 | KDM4E (0.32) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8919833 | 0.81 | — | — | |
| SCHEMBL8919045 | 0.79 | PARP1 (0.38) | SYKKDM4EALDH1A1PARP1 | |
| SCHEMBL1122415 | 0.79 | PARP1 (0.46) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8918630 | 0.75 | IKBKB (0.47) | KDM4EALDH1A1HSD17B10PARP1 | |
| SCHEMBL353231 | 0.75 | KDM4E (0.55) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30011332 | 0.75 | KDM4E (0.55) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7083112 | 0.74 | PARP1 (0.47) | SYKKDM4EALDH1A1HPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL28941143 | 0.74 | KDM4E (0.54) | SYKKDM4EALDH1A1HPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |