Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1790840 | 0.87 | KCNH2 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17188578 | 0.82 | CA1 (0.44) | MAOAMAOBLSSCA12CA1 | |
| SCHEMBL14085298 | 0.82 | CHRNB2 (0.51) | MAOAMAOBLSSCA12CA1 | |
| SCHEMBL536433 | 0.79 | MAOB (0.68) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL9782182 | 0.79 | MAOB (0.46) | MAOAMAOBLSSKCNH2LTA4H | |
| SCHEMBL2641181 | 0.79 | CHRNB2 (0.47) | MAOAMAOBLSSCA1CA2 | |
| SCHEMBL9808291 | 0.77 | KCNH2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10803113 | 0.75 | LSS (0.64) | LSSKCNH2LTA4HCHRNB2CHRNB4 | |
| SCHEMBL14280087 | 0.75 | LSS (0.53) | LSSKCNH2LTA4HCHRNB2CHRNB4 | |
| SCHEMBL12314512 | 0.74 | GRM5 (0.53) | KCNH2EGLN1MAPT |
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-3963826-A | Low temperature, low pressure hydrogen gettering | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) | 1976-06-15 | — | — | US | disclosed |