Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18306116 | 0.90 | ATR (0.42) | ATRKDM4EALDH1A1HTTHPGD | |
| SCHEMBL18306152 | 0.72 | KDM4E (0.39) | KDM4EALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL2933243 | 0.71 | ATR (0.53) | ATRKDM4EALDH1A1HPGDGAA | |
| SCHEMBL21375591 | 0.70 | PDGFRA (0.55) | LCK | |
| SCHEMBL24073022 | 0.69 | KDM4E (0.43) | ATRKDM4EALDH1A1HTTHPGD | |
| SCHEMBL4395627 | 0.67 | ALDH1A1 (0.44) | ATRKDM4EALDH1A1GAAUSP2 | |
| SCHEMBL28184008 | 0.67 | ATR (0.48) | ATRKDM4EALDH1A1GAAUSP2 | |
| SCHEMBL3758964 | 0.67 | MEN1 (0.54) | KDM4EHTTHPGDGAAPOLB | |
| SCHEMBL19892909 | 0.67 | KDM4E (0.46) | KDM4EALDH1A1HTTHPGDGAA | |
| SCHEMBL26656448 | 0.67 | ATR (0.72) | ATRKDM4EALDH1A1GAAUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |