Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18673188 | 0.85 | AOC3 (0.41) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL18673197 | 0.75 | AOC3 (0.39) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL18673216 | 0.74 | KDM4E (0.41) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL18673193 | 0.74 | KDM4E (0.41) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL18673198 | 0.73 | MTNR1A (0.42) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL18673189 | 0.72 | KCNH2 (0.39) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL29068719 | 0.71 | ALDH1A1 (0.43) | AOC3HSD17B10L3MBTL1TSHR | |
| SCHEMBL18673217 | 0.71 | AOC3 (0.62) | AOC3ACACBMTNR1AMTNR1B | |
| SCHEMBL18673215 | 0.70 | AOC3 (0.43) | AOC3ACACBMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL2068499 | 0.69 | AOC3 (0.80) | AOC3ALOX15L3MBTL1KDM4E |
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 |