Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 14/20 | 0.88 |
| ▸ | NOS1 | P29475 | 4/20 | 0.88 |
| ▸ | NOS3 | P29474 | 1/20 | 0.88 |
| ▸ | NOS2 | P35228 | 1/20 | 0.88 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Benzyl Carbamimidothioate SCHEMBL974745 | 0.94 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL28084166 | 0.91 | IDO1 (0.95) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL893859 | 0.91 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL14576763 | 0.91 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL4911682 | 0.91 | IDO1 (1.00) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL27476627 | 0.90 | IDO1 (0.84) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL27962431 | 0.89 | IDO1 (0.91) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL28084165 | 0.89 | IDO1 (0.91) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL14714919 | 0.84 | IDO1 (0.81) | IDO1NOS1NOS3NOS2SLC11A2 | |
| Benzyl Carbamimidothioate SCHEMBL11527781 | 0.84 | IDO1 (0.81) | IDO1NOS1NOS3NOS2SLC11A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0558799-A2 | Catalyst and process for the production of 3-cyano-3,5,5-trialkylcyclohexanone | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-09-08 | — | — | EP | disclosed |