Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL291015 | 0.74 | — | — | |
| SCHEMBL15333871 | 0.72 | PARP1 (0.38) | PARP1ADORA2A | |
| SCHEMBL19153237 | 0.72 | RAB9A (0.46) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL7366251 | 0.68 | PARP1 (0.53) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL8115281 | 0.67 | ALDH1A1 (0.56) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL18238021 | 0.64 | ALDH1A1 (0.41) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL21388614 | 0.64 | ALDH1A1 (0.41) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL8116183 | 0.63 | HSD17B10 (0.56) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL14911424 | 0.63 | NOS1 (0.56) | ALDH1A1HSD17B10PARP1PRKCIPDE4B | |
| SCHEMBL8115175 | 0.63 | ALDH1A1 (0.56) | ALDH1A1HSD17B10PARP1PRKCIPDE4B |
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-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 |