Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 6/20 | 0.48 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.48 |
| ▸ | G6PD | P11413 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4253200 | 0.80 | TSHR (0.60) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL8917374 | 0.80 | PAK1 (0.32) | PAK1TSHR | |
| SCHEMBL2115555 | 0.76 | PAK1 (0.71) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL31439407 | 0.76 | PAK1 (0.71) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL10426489 | 0.75 | G6PD (0.64) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL8642694 | 0.70 | PAK1 (0.97) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL10927540 | 0.70 | PAK1 (0.97) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL3396404 | 0.69 | TSHR (0.78) | PAK1TSHRMAPTHIF1ACDC7 | |
| SCHEMBL240980 | 0.67 | HSD17B10 (1.00) | PAK1TSHRMAPTHIF1AHSD17B10 | |
| SCHEMBL30132912 | 0.67 | HSD17B10 (1.00) | PAK1TSHRMAPTHIF1AHSD17B10 |
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 4 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 |
| EP-0612315-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993010097-A1 | NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-05-27 | — | — | WO | disclosed |