Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 10/20 | 0.78 |
| ▸ | NOS2 | P35228 | 9/20 | 0.78 |
| ▸ | NOS3 | P29474 | 6/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.68 |
| ▸ | THPO | P40225 | 1/20 | 0.68 |
| ▸ | DDAH1 | O94760 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | APEX1 | P27695 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9141669 | 0.93 | NOS1 (0.76) | NOS1NOS2NOS3CYP2C19THPO | |
| SCHEMBL9113062 | 0.91 | NOS1 (0.74) | NOS1NOS2NOS3CYP2C19THPO | |
| SCHEMBL232480 | 0.88 | NOS1 (1.00) | NOS1NOS2NOS3CYP2C19THPO | |
| SCHEMBL9141622 | 0.87 | NOS2 (0.71) | NOS1NOS2NOS3CYP2C19THPO | |
| SCHEMBL29941582 | 0.83 | NOS1 (0.74) | NOS1NOS2NOS3CYP2C19THPO | |
| SCHEMBL9114350 | 0.82 | NOS1 (0.73) | NOS1NOS2NOS3CYP2C19THPO | |
| S-Methyl-D-Thiocitrulline SCHEMBL9114394 | 0.81 | NOS1 (1.00) | NOS1NOS2NOS3CYP2C19THPO | |
| Thiocitrulline SCHEMBL940520 | 0.81 | NOS1 (1.00) | NOS1NOS2NOS3CYP2C19THPO | |
| Thiocitrulline SCHEMBL4406617 | 0.80 | NOS1 (0.97) | NOS1NOS2NOS3CYP2C19THPO | |
| Thiocitrulline SCHEMBL1320099 | 0.78 | NOS2 (0.94) | NOS1NOS2NOS3CYP2C19THPO |
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 |
|---|---|---|---|---|---|---|---|
| US-5476871-A | Method for the treatment of hypotension induced by a cytokine or bacterial endotoxin using s-alkyl- isothioureido-amino acids | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1995-12-19 | — | — | US | disclosed |
| WO-1995013804-A1 | S-ALKYL-ISOTHIOUREIDO-AMINO ACIDS AND USE THEREOF | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1995-05-26 | — | — | WO | disclosed |
| US-5364881-A | S-alkyl-isothioureido-amino acids and use thereof | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1994-11-15 | — | — | US | disclosed |