Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BHMT | Q93088 | 11/20 | 0.37 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | GRM8 | O00222 | 1/20 | 0.32 |
| ▸ | GRM6 | O15303 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GSR | P00390 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17234321 | 1.00 | BHMT (0.37) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL18528389 | 1.00 | BHMT (0.37) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL17234405 | 0.93 | BHMT (0.35) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL18528363 | 0.93 | BHMT (0.35) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL23586886 | 0.93 | BHMT (0.35) | BHMTBHMT2NOS2NOS3NOS1 | |
| SCHEMBL18528426 | 0.87 | — | — | |
| SCHEMBL17234334 | 0.87 | — | — | |
| SCHEMBL18528406 | 0.83 | POLB (0.31) | — | |
| SCHEMBL24241868 | 0.82 | ACE (0.30) | — | |
| SCHEMBL18528425 | 0.80 | ALDH1A1 (0.31) | — |
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-3137447-B1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX INC (US) | 2021-06-30 | — | — | EP | disclosed |