Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 4/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22175070 | 0.79 | CHRNB2 (0.44) | CHRNB2CHRNA4HTR1BHTR1DKDM4E | |
| SCHEMBL30230019 | 0.77 | CHRNB2 (0.46) | CHRNB2CHRNA4HTR1BHTR1D | |
| SCHEMBL30230277 | 0.77 | TLR7 (0.43) | CHRNB2CHRNA4HTR1BHTR1DHRH1 | |
| SCHEMBL25223406 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNA4HTR1BHTR1DHRH1 | |
| SCHEMBL24315473 | 0.76 | KDM4E (0.50) | CHRNB2CHRNA4HTR1BHTR1DKDM4E | |
| SCHEMBL24315471 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNA4HTR1BHTR1DHRH1 | |
| SCHEMBL30593366 | 0.76 | CHRNB2 (0.41) | CHRNB2CHRNA4HTR1BHTR1DHRH1 | |
| SCHEMBL9839025 | 0.76 | HRH3 (0.31) | — | |
| SCHEMBL9839954 | 0.76 | HRH3 (0.31) | — | |
| SCHEMBL9840564 | 0.76 | APP (0.40) | — |
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-113454086-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists | 百济神州有限公司 | 2021-09-28 | — | — | CN | disclosed |