Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AOC1 | P19801 | 2/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 9/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL793757 | 0.84 | AOC1 (0.42) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL29517316 | 0.84 | AOC1 (0.42) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL9953248 | 0.82 | AOC1 (0.44) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| Ammonia Solution, Strong SCHEMBL22749582 | 0.82 | AOC1 (0.41) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL17282368 | 0.79 | CYP11B2 (0.47) | ALDH1A1MAPTAOC1AOC3CYP17A1 | |
| SCHEMBL27820281 | 0.78 | CYP17A1 (0.38) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL15770398 | 0.77 | HTR1D (0.43) | CYP17A1GAAATR | |
| SCHEMBL29939336 | 0.76 | RPS6KA3 (0.50) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL16702989 | 0.76 | RPS6KA3 (0.50) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 | |
| SCHEMBL15770649 | 0.73 | ATR (0.45) | ALDH1A1MAPTL3MBTL1KDM4EMEN1 |
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-107629059-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-07-28 | — | — | CN | disclosed |