Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL9894566 | 0.84 | HTR1F (0.31) | HRH4 | |
| SCHEMBL20889623 | 0.82 | ADORA1 (0.36) | — | |
| SCHEMBL16457442 | 0.78 | THRB (0.49) | — | |
| SCHEMBL5924367 | 0.74 | NOS2 (0.46) | KCNH2NOS2ESR1ESR2HRH3 | |
| SCHEMBL9894031 | 0.74 | DRD2 (0.32) | CTSSCTSKEPHX2 | |
| SCHEMBL3840247 | 0.72 | HRH3 (0.42) | KCNH2NOS2ESR1ESR2HRH3 | |
| SCHEMBL1532157 | 0.72 | NOS2 (0.43) | KCNH2NOS2ESR1ESR2HRH3 | |
| SCHEMBL3105423 | 0.71 | KCNH2 (0.38) | KCNH2NOS2ESR1ESR2HRH3 | |
| SCHEMBL3105999 | 0.71 | KCNH2 (0.38) | KCNH2NOS2ESR1ESR2HRH3 | |
| Hydrochloric Acid SCHEMBL6123019 | 0.71 | NOS2 (0.42) | KCNH2NOS2ESR1ESR2HRH3 |
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-9840481-B2 | Allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |