Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | PLK1 | P53350 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL13354976 | 0.80 | CA12 (0.47) | ALDH1A1PLK1GABRA1GABRB2MAPT | |
| SCHEMBL321003 | 0.79 | GABRA1 (0.45) | KDM4EALDH1A1GABRA1GABRB2GAA | |
| SCHEMBL14731237 | 0.79 | GAA (0.50) | PLK1GABRA1GABRB2GAARAB9A | |
| SCHEMBL8571637 | 0.79 | ALDH1A1 (0.50) | KDM4EALDH1A1GABRA1GABRB2HPGD | |
| SCHEMBL2061352 | 0.78 | CD44 (0.43) | KDM4EALDH1A1PLK1HPGDGAA | |
| SCHEMBL10174604 | 0.77 | PLK1 (0.41) | KDM4EALDH1A1PLK1GABRA1GABRB2 | |
| SCHEMBL1202579 | 0.76 | GAA (0.52) | ALDH1A1GAARAB9AHDAC1JAK1 | |
| SCHEMBL15520067 | 0.76 | HDAC8 (0.42) | KDM4EALDH1A1PLK1HPGDGAA | |
| SCHEMBL7457606 | 0.76 | JAK1 (0.58) | ALDH1A1HPGDJAK1 | |
| SCHEMBL24469675 | 0.76 | GABRA1 (0.42) | KDM4EALDH1A1GABRA1GABRB2HPGD |
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-2367800-B9 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | IPHARMA H K LTD (HK) | 2021-10-20 | — | — | EP | disclosed |