Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 2/20 | 0.52 |
| ▸ | NOS1 | P29475 | 6/20 | 0.49 |
| ▸ | DDAH1 | O94760 | 3/20 | 0.49 |
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | BHMT | Q93088 | 1/20 | 0.47 |
| ▸ | BHMT2 | Q9H2M3 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ARG2 | P78540 | 4/20 | 0.47 |
| ▸ | ARG1 | P05089 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7866809 | 1.00 | GSR (0.52) | GSRNOS1DDAH1NOS2NOS3 | |
| SCHEMBL24514466 | 0.94 | GSR (0.55) | GSRNOS1DDAH1NOS2NOS3 | |
| SCHEMBL5034721 | 0.87 | BHMT (0.60) | GSRBHMTBHMT2KMT2ACYP1A2 | |
| SCHEMBL1199780 | 0.87 | BHMT (0.60) | GSRBHMTBHMT2KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL7712717 | 0.85 | BHMT (0.58) | GSRBHMTBHMT2KMT2AARG2 | |
| Hydrochloric Acid SCHEMBL1198729 | 0.85 | BHMT (0.58) | GSRBHMTBHMT2KMT2AARG2 | |
| SCHEMBL16431861 | 0.82 | ACE2 (0.59) | GSRNOS1DDAH1NOS2NOS3 | |
| D-Glutamate SCHEMBL27832572 | 0.82 | SLC1A2 (0.60) | GSRNOS1DDAH1BHMTKMT2A | |
| SCHEMBL29289 | 0.82 | GSR (0.71) | GSRNOS1NOS2NOS3CYP2C19 | |
| SCHEMBL29291 | 0.82 | GSR (0.71) | GSRNOS1NOS2NOS3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012051663-A1 | ANTIMICROBIAL COMPOUNDS | MONASH UNIVERSITY (AU) | 2012-04-26 | — | — | WO | disclosed |