Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | USP28 | Q96RU2 | 2/20 | 0.37 |
| ▸ | USP25 | Q9UHP3 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18673198 | 0.81 | MTNR1A (0.42) | MTNR1AMTNR1BAOC3CA12CA4 | |
| SCHEMBL18673193 | 0.79 | KDM4E (0.41) | MTNR1AMTNR1BAOC3CA12CA4 | |
| SCHEMBL18673216 | 0.79 | KDM4E (0.41) | MTNR1AMTNR1BAOC3CA12CA4 | |
| SCHEMBL18673189 | 0.73 | KCNH2 (0.39) | MTNR1AMTNR1BAOC3ACACB | |
| SCHEMBL18673215 | 0.73 | AOC3 (0.43) | MTNR1AMTNR1BAOC3ACACB | |
| SCHEMBL18673188 | 0.71 | AOC3 (0.41) | MTNR1AMTNR1BAOC3CA12CA4 | |
| SCHEMBL4402323 | 0.69 | AKR1B1 (0.62) | GLS | |
| SCHEMBL18673187 | 0.69 | AOC3 (0.45) | MTNR1AMTNR1BAOC3CA12CA4 | |
| SCHEMBL2069326 | 0.69 | AOC3 (0.69) | AOC3RORC | |
| SCHEMBL971493 | 0.68 | AOC3 (0.67) | AOC3 |
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-9603833-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2017-03-28 | — | — | US | disclosed |