Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5889023 | 0.73 | — | — | |
| SCHEMBL7339039 | 0.71 | — | — | |
| SCHEMBL30593437 | 0.70 | ARG1 (0.53) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL9731156 | 0.70 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL11497550 | 0.70 | SLC6A2 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL10881737 | 0.69 | CYP2D6 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7340499 | 0.69 | — | — | |
| SCHEMBL5928282 | 0.67 | ARG1 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL15567482 | 0.67 | ARG1 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL11279038 | 0.67 | CHRM2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996002241-A9 | USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION | — | 1996-02-29 | — | — | WO | claimed |
| WO-1996003139-A1 | USE OF NITRIC OXIDE OR NITRIC OXIDE ADDUCTS TO PRESERVE PLATELETS | DUKE UNIVERSITY (US) | 1996-02-08 | — | — | WO | claimed |
| WO-1996002241-A1 | USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION | DUKE UNIVERSITY (US) | 1996-02-01 | — | — | WO | claimed |