Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20098206 | 0.79 | SCN10A (0.41) | CACNA1ITSHRCACNA1GCACNA1HCNR2 | |
| SCHEMBL19464658 | 0.75 | CACNA1I (0.43) | CACNA1IALDH1A1TSHRESR1ESR2 | |
| SCHEMBL609045 | 0.72 | GRM4 (0.38) | — | |
| SCHEMBL21921557 | 0.72 | CACNA1I (0.50) | CACNA1IALDH1A1CACNA1GCACNA1HCNR2 | |
| SCHEMBL16019759 | 0.70 | RORC (0.38) | CACNA1IESR1ESR2KCNH2MAPT | |
| SCHEMBL23552670 | 0.70 | NR1I2 (0.44) | ALDH1A1TSHRESR1ESR2 | |
| SCHEMBL21214840 | 0.70 | NR5A1 (0.45) | ALDH1A1TSHR | |
| SCHEMBL16248104 | 0.70 | SRD5A1 (0.33) | MAPT | |
| SCHEMBL8886592 | 0.70 | NQO1 (0.54) | ALDH1A1TSHR | |
| SCHEMBL26773895 | 0.68 | SCN10A (0.39) | CACNA1ITSHRCACNA1GCACNA1HCNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2744804-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2017-05-17 | — | — | EP | disclosed |