Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892757 | 0.85 | CYP11B1 (0.35) | HTR5ANOS3NOS1NOS2 | |
| SCHEMBL2089861 | 0.70 | CYP11B1 (0.33) | HTR5ANOS3NOS1NOS2 | |
| SCHEMBL5548224 | 0.70 | NOS1 (0.50) | NOS3NOS1NOS2 | |
| SCHEMBL18078995 | 0.68 | KDM1A (0.44) | HTR5ANOS3NOS1NOS2ADRA2A | |
| SCHEMBL11817385 | 0.67 | BCHE (0.37) | — | |
| SCHEMBL5544337 | 0.66 | NOS1 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL9376283 | 0.65 | NOS1 (0.34) | NOS3NOS1NOS2 | |
| SCHEMBL21474928 | 0.65 | — | — | |
| SCHEMBL5539300 | 0.64 | NOS1 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL29547256 | 0.64 | BCHE (0.56) | ADRA2BADRA2CDRD2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431856-B1 | Heterocyclic compounds | ZENECA LTD (GB) | 1995-07-12 | — | — | EP | claimed |
| US-5332737-A | Cardiovascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-07-26 | — | — | US | claimed |
| EP-0431856-A2 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1991-06-12 | — | — | EP | claimed |
| US-5574037-A | MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-11-12 | — | — | US | disclosed |
| EP-0431856-B1 | Heterocyclic compounds | ZENECA LTD (GB) | 1995-07-12 | — | — | EP | disclosed |
| US-5332737-A | Cardiovascular disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-07-26 | — | — | US | disclosed |
| EP-0431856-A2 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1991-06-12 | — | — | EP | disclosed |