Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1553650 | 0.86 | RAB9A (0.44) | ALDH1A1RAB9ACA12CA1CA2 | |
| SCHEMBL12832808 | 0.81 | EPHX2 (0.45) | RAB9AMAPK1 | |
| SCHEMBL1554212 | 0.78 | RAB9A (0.46) | ALDH1A1RAB9ACA12CA1CA2 | |
| SCHEMBL12708357 | 0.72 | MAPK1 (0.46) | MAPK1 | |
| SCHEMBL13578554 | 0.70 | EPHX2 (0.50) | ALDH1A1RAB9AMAPK1 | |
| SCHEMBL12708332 | 0.69 | — | — | |
| SCHEMBL1430493 | 0.68 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL1430102 | 0.66 | NPC1 (0.47) | RAB9AMAPK1 | |
| SCHEMBL13419098 | 0.64 | MAP4K1 (0.43) | CA12CA1CA2CA9MAPK1 | |
| SCHEMBL12832832 | 0.64 | MAPK1 (0.48) | RAB9AMAPK1 |
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-2102199-B1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2011-04-27 | — | — | EP | disclosed |