Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.53 |
| ▸ | ARG2 | P78540 | 4/20 | 0.48 |
| ▸ | ARG1 | P05089 | 3/20 | 0.48 |
| ▸ | NOS1 | P29475 | 5/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | NOS3 | P29474 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24642321 | 1.00 | GSR (0.53) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL1456363 | 1.00 | GSR (0.53) | GSRARG2ARG1NOS1NOS2 | |
| Water SCHEMBL28303757 | 0.98 | GSR (0.52) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL14895324 | 0.92 | GSR (0.46) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL22122576 | 0.92 | GSR (0.46) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL14450808 | 0.90 | DPP7 (0.61) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL29485083 | 0.88 | GSR (0.61) | GSRARG2ARG1NOS1NOS2 | |
| SCHEMBL10286387 | 0.87 | NOD1 (0.52) | GSRARG2ARG1NOS1DDAH1 | |
| SCHEMBL10285774 | 0.87 | NOD1 (0.52) | GSRARG2ARG1NOS1DDAH1 | |
| SCHEMBL460141 | 0.87 | GRIK1 (0.56) | GSRARG2ARG1TSHRDDAH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109265355-B | Pentanediamine suberate salt and crystal thereof | 南京工业大学 | 2021-06-25 | — | — | CN | disclosed |