Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29029701 | 0.80 | FBP1 (0.43) | ABCG2EGFRFBP1ALDH1A1HTT | |
| SCHEMBL8932207 | 0.79 | EGFR (0.50) | ABCG2EGFRFBP1 | |
| SCHEMBL29361152 | 0.73 | PIK3CA (0.61) | MEN1KMT2APIK3CAALDH1A1HTT | |
| SCHEMBL20412178 | 0.72 | GAA (0.44) | ABCG2EGFRMEN1KMT2AFBP1 | |
| SCHEMBL14579636 | 0.71 | GAA (0.43) | ABCG2EGFRMEN1KMT2AALDH1A1 | |
| SCHEMBL7474113 | 0.70 | EGFR (0.55) | ABCG2EGFRFBP1ALDH1A1KDM4E | |
| SCHEMBL8825777 | 0.70 | EGFR (0.50) | ABCG2EGFRFBP1 | |
| SCHEMBL14579634 | 0.70 | GAA (0.42) | ABCG2EGFRMEN1KMT2AALDH1A1 | |
| SCHEMBL28755534 | 0.70 | GAA (0.49) | EGFRKMT2AALDH1A1HTT | |
| SCHEMBL28821207 | 0.70 | CCNC (0.38) | EGFRMEN1KMT2AFBP1ALDH1A1 |
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-116406272-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-114605414-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| WO-2022017368-A1 | DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 首药控股(北京)股份有限公司 | 2022-01-27 | — | — | WO | disclosed |