Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BHMT | Q93088 | 8/20 | 0.57 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.55 |
| ▸ | NOS2 | P35228 | 2/20 | 0.55 |
| ▸ | NOS3 | P29474 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 1/20 | 0.55 |
| ▸ | GSR | P00390 | 2/20 | 0.54 |
| ▸ | GRM8 | O00222 | 1/20 | 0.54 |
| ▸ | GRM6 | O15303 | 1/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.54 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.54 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.54 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.54 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.54 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.54 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL31268050 | 1.00 | BHMT (0.57) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL14242026 | 1.00 | BHMT (0.57) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL224295 | 1.00 | BHMT (0.57) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL385396 | 1.00 | BHMT (0.57) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL385397 | 1.00 | BHMT (0.57) | BHMTBHMT2NOS2NOS3NOS1 | |
| Hydrogen Sulfide SCHEMBL27649836 | 0.97 | BHMT (0.55) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL31443066 | 0.97 | BHMT (0.55) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL30448407 | 0.97 | BHMT (0.55) | BHMTBHMT2NOS2NOS3NOS1 | |
| Potassium SCHEMBL31443073 | 0.97 | BHMT (0.55) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL27616884 | 0.97 | BHMT (0.55) | BHMTBHMT2NOS2NOS3NOS1 |
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-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |