Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 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 | |
|---|---|---|---|---|
| SCHEMBL30149529 | 0.80 | ACHE (0.46) | CA1CA2CA4CA6MIF | |
| SCHEMBL5809047 | 0.80 | ACHE (0.46) | CA1CA2CA4CA6MIF | |
| SCHEMBL29051548 | 0.73 | CYP1A2 (0.34) | S1PR1CA1CLK1 | |
| SCHEMBL14848740 | 0.72 | PTPN1 (0.46) | MAOBESR1NTRK1CDK2CHEK1 | |
| SCHEMBL29899282 | 0.70 | EGFR (0.52) | CA1CA2CA4CA6CLK1 | |
| SCHEMBL5814304 | 0.70 | EGFR (0.52) | CA1CA2CA4CA6CLK1 | |
| SCHEMBL8047659 | 0.70 | NR1H2 (0.55) | HSP90AA1CYP26A1ALOX5CA1CA2 | |
| SCHEMBL28462071 | 0.69 | PARP1 (0.40) | — | |
| SCHEMBL784291 | 0.68 | MAOB (0.59) | HSP90AA1CYP26A1ESR2MIFMAOB | |
| SCHEMBL8460792 | 0.67 | SRD5A1 (0.56) | HSP90AA1CYP26A1MIFMAOBNTRK1 |
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 |