Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9874599 | 0.91 | CYP2D6 (0.42) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| Nitric Acid SCHEMBL9874607 | 0.75 | UGT2B7 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL8957372 | 0.70 | GSR (0.50) | CYP2D6CNR1 | |
| SCHEMBL8950399 | 0.69 | UGT2B7 (0.53) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL1988215 | 0.69 | CNR1 (0.49) | CYP2D6CNR1UGT2B7AOC3 | |
| SCHEMBL17466752 | 0.69 | CNR1 (0.49) | CYP2D6CNR1UGT2B7AOC3 | |
| SCHEMBL8957482 | 0.69 | GRIA4 (0.40) | CNR1 | |
| SCHEMBL6300038 | 0.69 | ALDH1A1 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| SCHEMBL6298892 | 0.69 | ALDH1A1 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4 | |
| Mannitol Hexanitrate SCHEMBL11579750 | 0.69 | GSR (0.36) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0689435-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1996-01-03 | — | — | EP | claimed |
| WO-1994021248-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1994-09-29 | — | — | WO | claimed |
| EP-0359335-A2 | Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance | CEDONA PHARMACEUTICALS B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |