Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20403686 | 0.83 | STING1 (0.42) | HCRTR1HCRTR2SCN9ASTING1WNT3A | |
| SCHEMBL28284386 | 0.81 | MAP4K1 (0.38) | HCRTR1HCRTR2KAT6AGABRA1GABRG2 | |
| SCHEMBL28224493 | 0.79 | GABRA1 (0.40) | HCRTR1HCRTR2KAT6AWNT3ACSNK1D | |
| SCHEMBL28295766 | 0.79 | WNT3A (0.42) | HCRTR1HCRTR2KAT6AWNT3AROCK2 | |
| SCHEMBL17432889 | 0.78 | WNT3A (0.39) | HCRTR1HCRTR2KAT6ASCN9ASTING1 | |
| SCHEMBL28098586 | 0.77 | CSNK1D (0.36) | ORAI1HCRTR1HCRTR2KAT6ASTING1 | |
| SCHEMBL28296425 | 0.76 | HCRTR1 (0.38) | HCRTR1HCRTR2KAT6ACSNK1DCSNK1E | |
| SCHEMBL323651 | 0.69 | BRAF (0.41) | HCRTR1HCRTR2KAT6ASCN9ASTING1 | |
| SCHEMBL322167 | 0.69 | WNT3A (0.41) | SCN9AWNT3AROCK2BRAFSMN1; SMN2 | |
| SCHEMBL16982970 | 0.68 | NOTUM (0.46) | SCN9AWNT3AKDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110087466-A | ACTIVE COMPOUND COMBINATIONS | 拜耳作物科学股份公司 | 2019-08-02 | — | — | CN | claimed |
| CN-107427001-A | Fungicidal active substance combinations | 拜耳作物科学股份公司 | 2017-12-01 | — | — | CN | claimed |