Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 6/20 | 0.50 |
| ▸ | NOS1 | P29475 | 5/20 | 0.50 |
| ▸ | NOS3 | P29474 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ARG2 | P78540 | 4/20 | 0.47 |
| ▸ | ARG1 | P05089 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1331746 | 1.00 | GSR (0.52) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL3117359 | 0.94 | NOS2 (0.54) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL5520220 | 0.94 | NOS2 (0.54) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL5059526 | 0.94 | NOS2 (0.54) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL7220293 | 0.86 | NOS2 (0.54) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL7225827 | 0.83 | NOS2 (0.49) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL7225831 | 0.83 | NOS2 (0.49) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL27932086 | 0.81 | NOS2 (0.62) | GSRNOS2NOS1NOS3CYP1A2 | |
| Acetic Acid SCHEMBL919118 | 0.79 | NOS2 (0.54) | GSRNOS2NOS1NOS3CYP1A2 | |
| SCHEMBL22113946 | 0.79 | GSR (0.48) | GSRNOS2NOS1NOS3CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| US-20030232040-A1 | Biocidal methods and compositions | SURECIDE TECHNOLOGIES, LLC | 2003-12-18 | — | — | US | disclosed |
| EP-1265490-A1 | BIOCIDAL METHODS AND COMPOSITIONS | Surecide Technologies, LLC (US) | 2002-12-18 | — | — | EP | disclosed |
| US-20020015697-A1 | Biocidal methods and compositions | SURECIDE, LLC | 2002-02-07 | — | — | US | disclosed |
| WO-2001067878-A1 | BIOCIDAL METHODS AND COMPOSITIONS | SURECIDE TECHNOLOGIES, LLC (US) | 2001-09-20 | — | — | WO | disclosed |