Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4367253 | 0.90 | NOS1 (0.39) | CYP2C9NOS3NOS1NOS2SLC6A2 | |
| SCHEMBL3381144 | 0.87 | CYP2C9 (0.53) | CYP2C9NOS3NOS1NOS2SLC6A2 | |
| SCHEMBL9226291 | 0.86 | CYP2C9 (0.52) | CYP2C9SLC6A2SLC6A4HTR3AKCNH2 | |
| SCHEMBL9227422 | 0.86 | CYP2C9 (0.52) | CYP2C9SLC6A2SLC6A4HTR3AKCNH2 | |
| SCHEMBL929600 | 0.86 | NOS2 (0.41) | CYP2C9NOS3NOS1NOS2NPC1 | |
| SCHEMBL10207819 | 0.86 | CYP2C9 (0.37) | CYP2C9NOS3NOS1NOS2NPC1 | |
| SCHEMBL712264 | 0.86 | NOS3 (0.37) | CYP2C9NOS3NOS1NOS2NPC1 | |
| SCHEMBL712266 | 0.86 | NOS3 (0.37) | CYP2C9NOS3NOS1NOS2NPC1 | |
| SCHEMBL713533 | 0.85 | NOS3 (0.36) | CYP2C9NOS3NOS1NOS2NPC1 | |
| SCHEMBL713534 | 0.85 | NOS3 (0.36) | CYP2C9NOS3NOS1NOS2NPC1 |
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-5948789-A | ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. | ASTRA AKTIEBOLAG (SE) | 1999-09-07 | — | — | US | disclosed |