Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL19374582 | 0.80 | KDM4E (0.43) | CYP1A2HSD17B10HTTALDH1A1KDM4E | |
| SCHEMBL27554736 | 0.72 | NISCH (0.35) | CYP1A2HSD17B10CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29522179 | 0.70 | SIRT3 (0.47) | CYP1A2CYP2A6ALDH1A1KDM4ETDP1 | |
| SCHEMBL3389640 | 0.70 | WNT3A (0.35) | CYP1A2HSD17B10CYP11B1CYP11B2HTT | |
| SCHEMBL6170131 | 0.69 | NOS3 (0.46) | MAP4K1ABL1CYP11B1RECQLCYP2A6 | |
| SCHEMBL20171985 | 0.68 | HSP90AB1 (0.43) | MAP4K1HSD17B10ABL1ALDH1A1NOS3 | |
| SCHEMBL15691383 | 0.67 | ALDH1A1 (0.39) | MAP4K1CYP1A2CYP2C19RECQLALDH1A1 | |
| SCHEMBL23500465 | 0.66 | ALDH1A1 (0.36) | ALDH1A1NOS3NOS2KDM4ETDP1 | |
| SCHEMBL1841305 | 0.66 | CCR1 (0.35) | MAP4K1ABL1RECQLALDH1A1NOS3 | |
| SCHEMBL2363044 | 0.66 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106117213-B | Heteroaryl compounds and methods for their synthesis and purification | 西格诺药品有限公司 | 2022-03-18 | — | — | CN | disclosed |