Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 6/20 | 0.36 |
| ▸ | AOC2 | O75106 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775787 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL30775723 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL1659938 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL29355417 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL30775720 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL460037 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL18746282 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL460038 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL1659934 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E | |
| SCHEMBL9019698 | 0.76 | CYP3A4 (0.48) | HSP90AB1GABRA1GABRB2MAOBKDM4E |
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-113582958-B | Flavane derivative and preparation and application thereof | 沈阳药科大学（CN） | 2023-01-13 | — | — | CN | disclosed |