Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL8460569 | 0.94 | ALDH1A1 (0.37) | ACE2CA1ALDH1A1CA2 | |
| SCHEMBL11058053 | 0.91 | ACE2 (0.40) | ACE2CA1ALDH1A1OPRM1ADH1B | |
| SCHEMBL11058962 | 0.86 | TSHR (0.36) | ALDH1A1 | |
| SCHEMBL29026685 | 0.83 | ACE2 (0.42) | ACE2CA1ALDH1A1OPRM1TP53 | |
| SCHEMBL2925548 | 0.81 | CA1 (0.40) | ACE2CA1ALDH1A1OPRM1TP53 | |
| SCHEMBL26969787 | 0.81 | ALDH1A1 (0.42) | CA1ALDH1A1CA2SMPD1FDPS | |
| SCHEMBL2923071 | 0.79 | ALDH1A1 (0.36) | CA1ALDH1A1OPRM1CA2SMPD1 | |
| SCHEMBL11058380 | 0.79 | CYP3A4 (0.46) | ALDH1A1CA2 | |
| SCHEMBL12433420 | 0.79 | ALDH1A1 (0.42) | CA1ALDH1A1CA2 | |
| SCHEMBL11063010 | 0.78 | CYP3A4 (0.44) | ALDH1A1CA2 |
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-4448587-A | ALKYL NITRATES AND ALKOXYALKYL NITRATES AS ADDITIVES | ETHYL CORPORATION (US) | 1984-05-15 | — | — | US | disclosed |