Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6496279 | 0.83 | BCHE (0.57) | BCHEKEAP1SMN1; SMN2PDPK1BACE1 | |
| SCHEMBL5483907 | 0.80 | TSHR (0.63) | KDM4EALDH1A1TDP1BCHEKEAP1 | |
| SCHEMBL4730864 | 0.78 | BCHE (0.67) | ALDH1A1HPGDBCHEKEAP1POLB | |
| SCHEMBL4317622 | 0.77 | BCHE (0.49) | ALDH1A1BCHEKEAP1PDPK1BACE1 | |
| SCHEMBL593890 | 0.76 | BCHE (0.54) | ALDH1A1BCHEKEAP1L3MBTL1PDPK1 | |
| SCHEMBL837602 | 0.75 | L3MBTL1 (0.51) | TDP1BCHEPOLBL3MBTL1SMN1; SMN2 | |
| SCHEMBL1137564 | 0.75 | KDM4E (0.58) | KDM4EALDH1A1HPGDTDP1POLB | |
| SCHEMBL23646037 | 0.73 | BCHE (0.69) | KDM4EALDH1A1HPGDTDP1BCHE | |
| SCHEMBL859924 | 0.73 | BCHE (0.51) | BCHEKEAP1 | |
| SCHEMBL12543495 | 0.73 | AHR (0.47) | BCHEKEAP1PDPK1BACE1 |
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-116535429-A | Amino acid modified BODIPY compound and preparation method and application thereof | 复旦大学 | 2023-08-04 | — | — | CN | disclosed |