Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 3/20 | 0.32 |
| ▸ | BCR | P11274 | 3/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30634010 | 1.00 | EGFR (0.33) | EGFRJUNNFKB1NFKB2RELA | |
| SCHEMBL26614027 | 0.81 | DHFR (0.39) | — | |
| SCHEMBL1634205 | 0.77 | KDM4E (0.50) | EGFRJUNNFKB1NFKB2RELA | |
| SCHEMBL1635008 | 0.74 | NQO2 (0.41) | EGFRJUNNFKB1NFKB2RELA | |
| SCHEMBL1634376 | 0.73 | ALDH1A1 (0.45) | KDM4ELMNAMAPTALDH1A1CYP1A2 | |
| SCHEMBL1632667 | 0.73 | KDM4E (0.38) | EGFRJUNNFKB1NFKB2RELA | |
| SCHEMBL559708 | 0.71 | BACE1 (0.46) | EGFRENPP3ENPP1ABL1BCR | |
| SCHEMBL31114211 | 0.71 | BACE1 (0.46) | EGFRENPP3ENPP1ABL1BCR | |
| SCHEMBL30527150 | 0.70 | NQO2 (0.45) | KDM4EMAPTALDH1A1 | |
| SCHEMBL25903679 | 0.70 | NQO2 (0.45) | KDM4EMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023207960-A1 | FUSED PYRIMIDINE-BASED DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-11-02 | — | — | WO | disclosed |