Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL8196798 | 0.78 | KCNH2 (0.54) | KCNH2ALDH1A1MAPTKCNJ1CYP2A6 | |
| SCHEMBL24991834 | 0.77 | ALDH1A1 (0.55) | KCNH2ALDH1A1ALDH3A1ALDH1A3MAPT | |
| SCHEMBL7865566 | 0.74 | MAPT (0.40) | HCAR3TRPV1ALDH1A1MAPTMEN1 | |
| SCHEMBL12781461 | 0.74 | HCAR3 (0.38) | HCAR3TRPV1MAPT | |
| SCHEMBL12201383 | 0.73 | ALDH1A1 (0.59) | ALDH1A1ALDH3A1ALDH1A3MAPTCYP2A6 | |
| SCHEMBL2767198 | 0.71 | KCNH2 (0.37) | KCNH2ALDH1A1KCNJ1CYP2A6CYP2A13 | |
| SCHEMBL6741043 | 0.71 | MAPT (0.49) | HCAR3TRPV1ALDH1A1MAPTMEN1 | |
| SCHEMBL15198856 | 0.71 | KCNJ1 (0.39) | KCNH2ALDH1A1KCNJ1CYP2A6CYP2A13 | |
| SCHEMBL231541 | 0.70 | LTC4S (0.39) | KCNH2 | |
| SCHEMBL7089251 | 0.68 | SMN1; SMN2 (0.44) | ALDH1A1MAPTKCNJ1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2886534-A1 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-Tech Ueno, Ltd. (JP) | 2015-06-24 | — | — | EP | disclosed |