Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KATNA1 | O75449 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL29176310 | 1.00 | ABCB1 (0.43) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL29176282 | 0.84 | SMN1; SMN2 (0.49) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL30800025 | 0.84 | SMN1; SMN2 (0.49) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL30800052 | 0.82 | TSHR (0.45) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL29176270 | 0.82 | TSHR (0.45) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL30799992 | 0.77 | KATNA1 (0.47) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL29176300 | 0.77 | KATNA1 (0.47) | ABCB1SMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL29176291 | 0.72 | MAP3K11 (0.48) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30800080 | 0.72 | MAP3K11 (0.48) | ABCB1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28474690 | 0.71 | KATNA1 (0.49) | PDE4APDE4BPDE4CPDE4DKATNA1 |
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-111732584-B | Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy | 复旦大学 | 2024-02-27 | — | — | CN | disclosed |