Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29012207 | 0.95 | CHEK1 (0.39) | CHEK1MCHR1 | |
| SCHEMBL29012210 | 0.85 | CHEK1 (0.41) | CHEK1MCHR1KDM4E | |
| SCHEMBL29012268 | 0.84 | CHEK1 (0.53) | CHEK1 | |
| SCHEMBL8831202 | 0.84 | CHEK1 (0.42) | CHEK1MCHR1DRD4KDM4EALDH1A1 | |
| SCHEMBL29012252 | 0.84 | CHEK1 (0.40) | CHEK1MCHR1KDM4EALDH1A1 | |
| SCHEMBL13085853 | 0.84 | KCNH2 (0.34) | CHEK1MCHR1DRD4 | |
| SCHEMBL8828265 | 0.83 | CHEK1 (0.51) | CHEK1MCHR1DRD4 | |
| SCHEMBL8828298 | 0.83 | CHEK1 (0.42) | CHEK1MCHR1 | |
| SCHEMBL29012208 | 0.82 | CHEK1 (0.49) | CHEK1MCHR1 | |
| SCHEMBL12922030 | 0.81 | CHEK1 (0.39) | CHEK1MCHR1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115038439-A | Combination cancer therapy with CHK inhibitors | 上海华禹生物科技有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-115038440-A | Combination cancer therapy with CHK inhibitors | 上海华禹生物科技有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-115038439-A | Combination cancer therapy with CHK inhibitors | 上海华禹生物科技有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-115038440-A | Combination cancer therapy with CHK inhibitors | 上海华禹生物科技有限公司 | 2022-09-09 | — | — | CN | disclosed |