Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 8/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3338115 | 1.00 | GRIN2B (0.45) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| Nitrogen SCHEMBL4074240 | 0.95 | GRIN2B (0.42) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| Alcohol SCHEMBL3173331 | 0.89 | NOS2 (0.47) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| Butanedione SCHEMBL5315580 | 0.85 | NOS2 (0.48) | GRIN2BGRIN1NOS2ALDH1A1 | |
| SCHEMBL15506263 | 0.83 | ALDH1A1 (0.52) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| SCHEMBL19611522 | 0.83 | ALDH1A1 (0.52) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| SCHEMBL17178869 | 0.83 | ALDH1A1 (0.52) | GRIN2BGRIN1NOS2TRPA1ALDH1A1 | |
| SCHEMBL15800695 | 0.80 | GRIN1 (0.48) | GRIN2BGRIN1TRPA1ALDH1A1CYP3A4 | |
| SCHEMBL1155001 | 0.78 | — | — | |
| SCHEMBL18752949 | 0.77 | HRH3 (0.48) | NOS2LOXL2CA1CA2CA5A |
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-2002055486-A2 | TRIAZENE COMPOUNDS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2002-07-18 | — | — | WO | disclosed |