Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 11/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SIK1 | P57059 | 1/20 | 0.36 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.36 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL18306168 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL18306116 | 0.74 | ATR (0.42) | KDM4EALDH1A1GAAHPGDATM | |
| SCHEMBL18306148 | 0.72 | ATR (0.47) | KDM4EALDH1A1GAAHPGDATM | |
| SCHEMBL19893002 | 0.66 | CA12 (0.53) | HPGDPDGFRA | |
| SCHEMBL1004368 | 0.65 | ACHE (0.48) | KDM4EALDH1A1GAASIK1SIK2 | |
| SCHEMBL19892909 | 0.65 | KDM4E (0.46) | KDM4EALDH1A1GAAHPGD | |
| SCHEMBL21358588 | 0.65 | PDGFRA (0.60) | PDGFRAKDR | |
| SCHEMBL16621167 | 0.63 | GFER (0.40) | KDM4EALDH1A1GAAPDGFRAKDR | |
| SCHEMBL30905565 | 0.63 | KDM4E (0.40) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL18114239 | 0.62 | CSF1R (0.46) | CSF1R |
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 |