Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 4/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 4/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.39 |
| ▸ | CHKA | P35790 | 2/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 6/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL17645981 | 0.91 | CCND3 (0.39) | HTR2CMCHR1CCND3CDK6CCNE2 | |
| SCHEMBL17645929 | 0.91 | CCND3 (0.39) | HTR2CMCHR1CCND3CDK6CCNE2 | |
| SCHEMBL17660353 | 0.86 | BTK (0.45) | HTR2CMCHR1BDKRB1BTK | |
| SCHEMBL17660387 | 0.83 | BDKRB1 (0.42) | MCHR1CDK2BDKRB1BTKJAK2 | |
| SCHEMBL17645777 | 0.83 | BTK (0.59) | HTR2CMCHR1BTK | |
| SCHEMBL17660357 | 0.81 | PARP1 (0.44) | CDK2CHKATNIKBTKKIT | |
| SCHEMBL17645716 | 0.80 | BDKRB1 (0.47) | HTR2CMCHR1CDK2BDKRB1BTK | |
| SCHEMBL24061700 | 0.80 | BTK (0.45) | BDKRB1BTKJAK2JAK1TYK2 | |
| SCHEMBL24061705 | 0.78 | BTK (0.58) | BTK | |
| SCHEMBL17660356 | 0.77 | BTK (0.45) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3204382-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-12-01 | — | — | EP | disclosed |