Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 5/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18673216 | 0.83 | KDM4E (0.41) | KCNH2ALDH1A1HTR2AHTR2CACACB | |
| SCHEMBL18673193 | 0.83 | KDM4E (0.41) | KCNH2ALDH1A1HTR2AHTR2CACACB | |
| SCHEMBL18673198 | 0.82 | MTNR1A (0.42) | KCNH2ALDH1A1HTR2AHTR2CACACB | |
| SCHEMBL3387913 | 0.75 | CA1 (0.49) | ALDH1A1POLBCYP2C19CYP1A2CYP2D6 | |
| SCHEMBL18673131 | 0.73 | MTNR1A (0.44) | ACACBMTNR1AMTNR1BAOC3 | |
| SCHEMBL18673187 | 0.72 | AOC3 (0.45) | ACACBMTNR1AMTNR1BCYP2C19CYP1A2 | |
| SCHEMBL18673188 | 0.70 | AOC3 (0.41) | ALDH1A1ACACBMTNR1AMTNR1BCYP2C19 | |
| SCHEMBL18673215 | 0.70 | AOC3 (0.43) | ALDH1A1ACACBMTNR1AMTNR1BCYP2C19 | |
| SCHEMBL2068481 | 0.69 | AOC3 (0.69) | AOC3 | |
| SCHEMBL18673217 | 0.69 | AOC3 (0.62) | ACACBMTNR1AMTNR1BAOC3 |
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 |