Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3408234 | 0.77 | KDM4E (0.54) | ALDH1A1CA12CA9ADORA3ADORA2A | |
| SCHEMBL3407406 | 0.71 | BRD4 (0.46) | ALDH1A1CA12CA9ADORA3ADORA2A | |
| SCHEMBL3411281 | 0.71 | EGFR (0.52) | ALDH1A1ADORA3MAPK10MEN1KMT2A | |
| SCHEMBL3411555 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ADORA3KDM4EHPGDALOX5 | |
| SCHEMBL3407318 | 0.70 | ALDH1A1 (0.53) | ALDH1A1ADORA3KDM4ESMN1; SMN2HPGD | |
| SCHEMBL6343134 | 0.67 | KDM4E (0.62) | ALDH1A1CA12CA9KDM4ESMN1; SMN2 | |
| SCHEMBL3411799 | 0.67 | ALDH1A1 (0.46) | ALDH1A1CA12CA9ADORA3ADORA2A | |
| SCHEMBL3754362 | 0.65 | ALDH1A1 (1.00) | ALDH1A1CA12CA9ADORA3ADORA2A | |
| SCHEMBL16474145 | 0.64 | ALOX5 (0.59) | ALDH1A1CA12CA9ADORA3ADORA2A | |
| SCHEMBL30623756 | 0.63 | KDM4E (0.69) | ALDH1A1KDM4ESMN1; SMN2HPGDCYP1A2 |
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 |