Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20332702 | 1.00 | NOS3 (0.37) | NOS3NOS2KCNH2MCHR1ALDH1A1 | |
| SCHEMBL23634062 | 0.89 | NOS2 (0.45) | NOS3NOS2ALDH1A1KDM4EHRH3 | |
| SCHEMBL10256427 | 0.84 | HRH3 (0.46) | NOS3NOS2KDM4EHRH3NOS1 | |
| SCHEMBL15650364 | 0.84 | NOS3 (0.43) | NOS3NOS2ALDH1A1KDM4ETSHR | |
| SCHEMBL4518931 | 0.79 | POLB (0.42) | NOS3NOS2ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL2793198 | 0.77 | BRAF (0.39) | NOS3NOS2CYP3A4 | |
| SCHEMBL30585768 | 0.77 | BRAF (0.39) | NOS3NOS2CYP3A4 | |
| SCHEMBL20878635 | 0.76 | GABRP (0.38) | NOS3NOS2ALDH1A1KDM4EGABRP | |
| SCHEMBL23613634 | 0.76 | KCNH2 (0.36) | KCNH2MCHR1ALDH1A1KDM4ETSHR | |
| SCHEMBL6653846 | 0.74 | ALDH1A1 (0.54) | NOS3NOS2ALDH1A1KDM4ETSHR |
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-3559000-B1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEIROF | BETTA PHARMACEUTICALS CO LTD (CN) | 2022-03-23 | — | — | EP | disclosed |