Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15779347 | 0.86 | ADRB2 (0.52) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL21599143 | 0.82 | ADRB2 (0.53) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL28789056 | 0.82 | ADRB2 (0.62) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL2063946 | 0.82 | ADRB2 (0.62) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL1938752 | 0.80 | ADRB2 (0.60) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL19986489 | 0.80 | ADRB2 (0.50) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL21599186 | 0.80 | ADRB2 (0.50) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL30485938 | 0.78 | HCAR2 (0.49) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL16707783 | 0.78 | ADRB2 (0.49) | ADRB2CYP3A4LMNAALDH1A1NPSR1 | |
| SCHEMBL13419067 | 0.77 | CYP3A4 (0.63) | ADRB2CYP3A4CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |