Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | USP8 | P40818 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28925081 | 0.87 | MAP4K1 (0.43) | MAP4K1ALDH1A1KHKEGLN2KDM1A | |
| SCHEMBL28631402 | 0.77 | MAP4K1 (0.49) | MAP4K1ALDH1A1CYP11B2NCOA3 | |
| SCHEMBL29930315 | 0.77 | MAP4K1 (0.49) | MAP4K1ALDH1A1CYP11B2NCOA3 | |
| SCHEMBL28631850 | 0.75 | WNT3A (0.43) | ALDH1A1TYK2MAPK14 | |
| SCHEMBL29929742 | 0.75 | WNT3A (0.43) | ALDH1A1TYK2MAPK14 | |
| SCHEMBL16858473 | 0.74 | KHK (0.42) | ALDH1A1KHKNPSR1EGLN2CYP11B2 | |
| SCHEMBL28551219 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KHKCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28633555 | 0.71 | MAP4K1 (0.42) | MAP4K1EGLN2CYP11B2KDM1A | |
| SCHEMBL15820110 | 0.71 | ALDH1A1 (0.40) | MAP4K1ALDH1A1KHKNPSR1LRRK2 | |
| SCHEMBL15428069 | 0.69 | PARG (0.37) | CYP1A2CYP2C9CYP2C19SCN9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115244050-B | Novel HPK1 inhibitor and preparation method and application thereof | 轶诺(浙江)药业有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-115244050-A | Novel HPK1 inhibitor and preparation method and application thereof | 轶诺(浙江)药业有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-113336747-A | Novel HPK1 inhibitor and preparation method and application thereof | 轶诺(浙江)药业有限公司 | 2021-09-03 | — | — | CN | disclosed |