Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7919465 | 0.85 | ALDH1A1 (0.43) | MAOBMEN1KMT2APOLBGAA | |
| SCHEMBL1390653 | 0.84 | MAOB (0.45) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL10239175 | 0.83 | MAOB (0.44) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL7922463 | 0.81 | NPC1 (0.34) | MAOBMEN1KMT2APOLBGAA | |
| SCHEMBL741818 | 0.79 | CA12 (0.56) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL2728294 | 0.75 | MAOB (0.53) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL914727 | 0.75 | MAOB (0.53) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL2728922 | 0.75 | MAOB (0.53) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL31661203 | 0.75 | MAOB (0.53) | MAOBCA12CA2CA7CA9 | |
| SCHEMBL2317769 | 0.74 | MAOB (0.52) | MAOBCA12CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | WO | disclosed |