Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CCNK | O75909 | 2/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CDK7 | P50613 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | CCNH | P51946 | 2/20 | 0.37 |
| ▸ | CDK13 | Q14004 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16671576 | 1.00 | BTK (0.51) | BTKTSHREGFRPPARDPPARA | |
| SCHEMBL18044959 | 0.93 | BTK (0.57) | BTKTSHR | |
| SCHEMBL16676746 | 0.93 | BTK (0.57) | BTKTSHR | |
| SCHEMBL16671496 | 0.90 | BTK (0.45) | BTKCA12CA1CA2CA4 | |
| SCHEMBL20968981 | 0.90 | BTK (0.45) | BTKCA12CA1CA2CA4 | |
| SCHEMBL18044925 | 0.88 | BTK (0.56) | BTKCA12CA1CA2CA4 | |
| SCHEMBL16670664 | 0.88 | BTK (0.56) | BTKCA12CA1CA2CA4 | |
| SCHEMBL16671781 | 0.86 | BTK (0.49) | BTKRIPK1 | |
| SCHEMBL16671783 | 0.86 | BTK (0.49) | BTKRIPK1 | |
| SCHEMBL16671599 | 0.83 | BTK (0.71) | BTKEGFR |
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-3060550-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |