Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 7/20 | 0.59 |
| ▸ | PTPN11 | Q06124 | 6/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 7/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 7/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 4/20 | 0.38 |
| ▸ | CDK7 | P50613 | 4/20 | 0.38 |
| ▸ | CCNH | P51946 | 4/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18045019 | 0.93 | BTK (0.69) | BTKPTPN11EGFRLCKITK | |
| SCHEMBL16676697 | 0.93 | BTK (0.69) | BTKPTPN11EGFRLCKITK | |
| SCHEMBL16676765 | 0.93 | BTK (0.69) | BTKPTPN11EGFRLCKITK | |
| SCHEMBL18044974 | 0.93 | BTK (0.69) | BTKPTPN11EGFRLCKITK | |
| SCHEMBL18044973 | 0.93 | BTK (0.69) | BTKPTPN11EGFRLCKITK | |
| SCHEMBL16671176 | 0.75 | CCNK (0.50) | BTKEGFRLCKCCNKCDK12 | |
| SCHEMBL28870513 | 0.75 | CCNK (0.50) | BTKEGFRLCKCCNKCDK12 | |
| SCHEMBL16671205 | 0.74 | BTK (1.00) | BTK | |
| SCHEMBL16670391 | 0.74 | BTK (1.00) | BTK | |
| SCHEMBL16671266 | 0.74 | BTK (1.00) | BTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3060550-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2016-08-31 | — | — | EP | disclosed |
| WO-2015061247-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-04-30 | — | — | WO | disclosed |