Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 16/20 | 0.52 |
| ▸ | NOS3 | P29474 | 15/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 11/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7690162 | 0.84 | NOS3 (0.51) | NOS1NOS3KCNH2NOS2CYP2D6 | |
| SCHEMBL7971736 | 0.84 | QRFPR (0.61) | NOS1NOS3KCNH2NOS2 | |
| Hydrochloric Acid SCHEMBL7598807 | 0.83 | QRFPR (0.60) | NOS1NOS3KCNH2NOS2CYP2D6 | |
| SCHEMBL7598794 | 0.82 | NOS3 (0.50) | NOS1NOS3KCNH2NOS2 | |
| SCHEMBL7597204 | 0.81 | NOS1 (0.49) | NOS1NOS3KCNH2NOS2 | |
| SCHEMBL7600919 | 0.81 | NOS1 (0.54) | NOS1NOS3KCNH2NOS2 | |
| SCHEMBL7690137 | 0.81 | NOS3 (0.48) | NOS1NOS3NOS2 | |
| SCHEMBL7597758 | 0.80 | NOS1 (0.65) | NOS1NOS3KCNH2NOS2 | |
| SCHEMBL7602429 | 0.80 | NOS3 (0.49) | NOS1NOS3KCNH2NOS2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7599083 | 0.80 | NOS1 (0.51) | NOS1NOS3KCNH2NOS2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002020511-A1 | AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-03-14 | — | — | WO | claimed |
| WO-2002020511-A1 | AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-03-14 | — | — | WO | disclosed |