Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.61 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.61 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.61 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | AGXT | P21549 | 1/20 | 0.51 |
| ▸ | MC4R | P32245 | 2/20 | 0.50 |
| ▸ | MC5R | P33032 | 2/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 9/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 9/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4889443 | 0.80 | CYP2A6 (0.71) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL10673407 | 0.77 | CYP2A6 (0.67) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL16935273 | 0.77 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL240588 | 0.76 | CYP2A6 (1.00) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL1254283 | 0.75 | CYP2A6 (1.00) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL16597960 | 0.75 | CYP2A6 (0.62) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL1176902 | 0.75 | CYP2A6 (0.62) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| Iodide SCHEMBL30536902 | 0.74 | CYP2A6 (0.96) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| Hydrochloric Acid SCHEMBL6941951 | 0.74 | CYP2A6 (0.96) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL1397891 | 0.74 | CYP2A6 (0.49) | CYP2A6ASIC3LOXL2ADRB2S1PR4 |
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-0092479-A1 | N,N'-substituted polymethylene diamines, processes for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1983-10-26 | — | — | EP | claimed |