Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | RXFP2 | Q8WXD0 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644600 | 1.00 | ESR1 (0.51) | ESR1CFTRGABRA1GABRB1GABRA5 | |
| SCHEMBL21644717 | 0.91 | NPC1 (0.53) | CFTRMAOANPC1MAPTRAB9A | |
| SCHEMBL21644538 | 0.79 | KIT (0.52) | — | |
| SCHEMBL21644636 | 0.77 | NPC1 (0.57) | NPC1RAB9A | |
| SCHEMBL17121304 | 0.76 | MAOB (0.48) | MAOANPC1MAPTRAB9A | |
| SCHEMBL21644546 | 0.76 | P2RX1 (0.56) | HDAC1HDAC2HSP90AA1HDAC8BCL2 | |
| SCHEMBL30779682 | 0.75 | CFTR (0.50) | CFTRHSP90AB1HDAC1HSP90AA1HDAC8 | |
| SCHEMBL21644544 | 0.75 | CFTR (0.50) | CFTRHSP90AB1HDAC1HSP90AA1HDAC8 | |
| SCHEMBL21644634 | 0.75 | BCL2 (0.69) | HSP90AB1HSP90AA1BCL2NPC1MAPT | |
| SCHEMBL21644715 | 0.74 | HSP90AA1 (0.45) | CFTRHSP90AB1HDAC1HDAC2HSP90AA1 |
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-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |