Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8917375 | 0.80 | PAK1 (0.54) | PAK1TSHR | |
| SCHEMBL2115552 | 0.76 | PAK1 (0.40) | PAK1TSHRNOTUM | |
| SCHEMBL10426488 | 0.75 | SMN1; SMN2 (0.41) | PAK1TSHRNOTUM | |
| SCHEMBL29951296 | 0.75 | NOTUM (0.36) | PAK1TSHRNOTUM | |
| SCHEMBL2118555 | 0.73 | PAK1 (0.48) | PAK1TSHRNOTUM | |
| SCHEMBL14028465 | 0.71 | CYP1A2 (0.54) | TSHR | |
| SCHEMBL1725582 | 0.70 | PAK1 (0.62) | PAK1 | |
| SCHEMBL735449 | 0.69 | NOTUM (0.60) | TSHRNOTUM | |
| SCHEMBL10927535 | 0.69 | PAK1 (0.61) | PAK1 | |
| SCHEMBL10925300 | 0.69 | PAK1 (0.61) | PAK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5495023-A | VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| WO-1993010097-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-27 | — | — | WO | disclosed |