Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.46 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6429242 | 0.68 | ALDH1A1 (0.49) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3405698 | 0.67 | ALDH1A1 (0.47) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9217948 | 0.66 | ALDH1A1 (0.62) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7135462 | 0.66 | ALDH1A1 (0.51) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| Acridone SCHEMBL28200023 | 0.64 | ALDH1A1 (0.95) | ALDH1A1CA12CA9KDM4ECYP1A2 | |
| SCHEMBL3408234 | 0.64 | KDM4E (0.54) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3932924 | 0.63 | CA12 (0.56) | ALDH1A1CA12RNASEH1ERCC1ERCC5 | |
| SCHEMBL13947065 | 0.63 | ALDH1A1 (0.61) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3754362 | 0.63 | ALDH1A1 (1.00) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL1520708 | 0.63 | FEN1 (1.00) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 |
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-2264035-A1 | Glycine B antagonists | Merz Pharma GmbH & Co. KGaA (DE) | 2010-12-22 | — | — | EP | disclosed |