Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 15/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL170369 | 0.77 | ALDH1A1 (0.55) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL14231743 | 0.77 | MAOB (0.71) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL434873 | 0.75 | MAOB (0.49) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL12510008 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL14754139 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL23241640 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL13824711 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL8548780 | 0.74 | MAOB (0.56) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL12347 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAOBADORA3CA12CA1 | |
| SCHEMBL27996763 | 0.74 | MAOB (0.58) | ALDH1A1MAOBADORA3CA12CA1 |
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-2477981-A1 | HETEROCYCLIC MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2012-07-25 | — | — | EP | disclosed |