Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 7/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13822470 | 0.77 | TUBB4A (0.38) | PTPN11JAK3LCKALDH1A1 | |
| Hydrochloric Acid SCHEMBL5008208 | 0.74 | TUBB4A (0.41) | PARP1CDC7ALDH1A1 | |
| SCHEMBL8409467 | 0.71 | NMT1 (0.35) | SLC6A4NMT1SLC6A2JAK3 | |
| Hydrochloric Acid SCHEMBL5983396 | 0.69 | FLT3 (0.43) | SLC6A4PARP1PTPN11SLC6A2PARP2 | |
| SCHEMBL6153634 | 0.69 | PARP15 (0.44) | SLC6A4SLC6A2CHEK1ALDH1A1 | |
| SCHEMBL6156471 | 0.69 | JAK3 (0.40) | SLC6A4PARP1SLC6A2KCNH2PARP2 | |
| SCHEMBL6154768 | 0.68 | SLC6A4 (0.42) | SLC6A4SLC6A2KCNH2JAK3ALDH1A1 | |
| SCHEMBL3716902 | 0.68 | PARP1 (0.44) | PARP1PTPN11CHEK1KCNH2JAK3 | |
| SCHEMBL20353616 | 0.67 | JAK1 (0.36) | PTPN11JAK3 | |
| SCHEMBL3714492 | 0.67 | JAK3 (0.43) | PARP1CHEK1KCNH2JAK3LCK |
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 |