Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6848105 | 0.83 | CA2 (0.57) | CA2CA12CA1CA9PELI1 | |
| SCHEMBL1373939 | 0.83 | HCAR2 (0.57) | MAOBCA2CA12CA1CA9 | |
| SCHEMBL27827422 | 0.83 | TDP1 (0.52) | MAOBCA2CA12CA1CA9 | |
| SCHEMBL1375276 | 0.83 | HCAR2 (0.57) | MAOBCA2CA12CA1CA9 | |
| SCHEMBL1450230 | 0.82 | F3 (0.52) | MAOBCA2CA12CA1CA9 | |
| SCHEMBL2225869 | 0.81 | MAOB (0.59) | MAOBCA2PELI1CYP1A2ALDH1A1 | |
| SCHEMBL6557373 | 0.80 | TDP1 (0.52) | MAOBNPC1ALDH1A1HSD17B10TDP1 | |
| SCHEMBL6557376 | 0.80 | TDP1 (0.52) | MAOBNPC1ALDH1A1HSD17B10TDP1 | |
| SCHEMBL7222824 | 0.77 | MAOB (0.44) | MAOBHDAC1HDAC8NPC1GAA | |
| SCHEMBL28207122 | 0.77 | CA2 (0.62) | MAOBCA2CA12CA1CA9 |
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-6559167-B1 | Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under | REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2003-05-06 | — | — | US | disclosed |