Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 14/20 | 0.49 |
| ▸ | NOS3 | P29474 | 11/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL7375377 | 0.81 | NOS2 (0.42) | NOS2NOS3 | |
| SCHEMBL11872463 | 0.80 | HRH4 (0.38) | NOS2NOS3NOS1SIGMAR1HRH4 | |
| SCHEMBL7380800 | 0.77 | NOS2 (0.42) | NOS2NOS3NOS1SIGMAR1HRH4 | |
| SCHEMBL7375148 | 0.76 | NOS2 (0.41) | NOS2NOS3NOS1 | |
| SCHEMBL7599428 | 0.76 | NOS2 (0.41) | NOS2NOS3NOS1 | |
| SCHEMBL7424032 | 0.76 | NOS2 (0.45) | NOS2NOS3 | |
| Iodide SCHEMBL7399488 | 0.75 | HRH4 (0.38) | NOS2NOS3NOS1HRH4TRPA1 | |
| SCHEMBL7423582 | 0.75 | NOS2 (0.41) | NOS2NOS3 | |
| SCHEMBL7417662 | 0.75 | NOS2 (0.41) | NOS2NOS3 | |
| SCHEMBL7418032 | 0.75 | NOS2 (0.41) | NOS2NOS3NOS1TRPA1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000073313-A1 | NEW TRICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2000-12-07 | — | — | WO | disclosed |