Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5809047 | 1.00 | ACHE (0.46) | ACHECA1CA2CA4CA6 | |
| SCHEMBL29899282 | 0.92 | EGFR (0.52) | CA1CA2CA4CA6CYP1A2 | |
| SCHEMBL5814304 | 0.92 | EGFR (0.52) | CA1CA2CA4CA6CYP1A2 | |
| SCHEMBL28461711 | 0.85 | EGFR (0.44) | MIFCYP1A2CYP2D6EGFRKDM4E | |
| SCHEMBL29051548 | 0.82 | CYP1A2 (0.34) | ACHECA1CYP1A2CYP2D6EGFR | |
| SCHEMBL14848740 | 0.81 | PTPN1 (0.46) | ACHEESR1 | |
| SCHEMBL28456202 | 0.81 | CYP1A2 (0.49) | ACHECA1CA2CA4CA6 | |
| SCHEMBL30516783 | 0.80 | HSP90AA1 (0.46) | CA1CA2CA4CA6MIF | |
| SCHEMBL5815604 | 0.79 | CYP24A1 (0.52) | ACHECA1CA2CA4CA6 | |
| SCHEMBL5815602 | 0.79 | ACHE (0.42) | ACHECA1CA2CA4CA6 |
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-112010880-B | Mono-iodine substituted BODIPY compound and preparation method and application thereof | 复旦大学 | 2022-12-30 | — | — | CN | disclosed |