Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6078734 | 0.94 | SLC6A4 (0.44) | SLC6A4NOS2AAK1TRPA1CA12 | |
| SCHEMBL6082710 | 0.82 | SLC6A4 (0.46) | SLC6A4NOS2AAK1TRPA1AR | |
| SCHEMBL6079471 | 0.82 | SLC6A4 (0.50) | SLC6A4NOS2GPR119MEN1KMT2A | |
| SCHEMBL6079478 | 0.82 | SLC6A4 (0.50) | SLC6A4NOS2GPR119MEN1KMT2A | |
| SCHEMBL6078732 | 0.82 | SLC6A4 (0.45) | SLC6A4NOS2AAK1ARGPR119 | |
| SCHEMBL6078728 | 0.82 | SLC6A4 (0.45) | SLC6A4NOS2AAK1ARGPR119 | |
| Hydrochloric Acid SCHEMBL6079158 | 0.81 | SLC6A4 (0.49) | SLC6A4NOS2GPR119MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6079152 | 0.81 | SLC6A4 (0.49) | SLC6A4NOS2GPR119MEN1KMT2A | |
| SCHEMBL6078288 | 0.76 | NOS2 (0.65) | SLC6A4NOS2AAK1ARGPR119 | |
| Hydrochloric Acid SCHEMBL6077883 | 0.75 | NOS2 (0.64) | SLC6A4NOS2AAK1GPR119 |
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-7119109-B2 | Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase | ASTRAZENECA AB (SE) | 2006-10-10 | — | — | US | disclosed |