Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 11/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TSPO | P30536 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SCN1A | P35498 | 2/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16790979 | 1.00 | BTK (0.36) | BTKSYKTAAR1TSPOCYP1A2 | |
| Hydrochloric Acid SCHEMBL16766505 | 0.99 | BTK (0.36) | BTKSYKTAAR1TSPOCYP1A2 | |
| Hydrochloric Acid SCHEMBL16766503 | 0.99 | BTK (0.36) | BTKSYKTAAR1TSPOCYP1A2 | |
| SCHEMBL16790980 | 0.92 | BTK (0.41) | BTKSYKTSPOCYP1A2CYP2C19 | |
| SCHEMBL107748 | 0.86 | MAPK8 (0.45) | BTKMAPK8 | |
| SCHEMBL16766621 | 0.85 | BTK (0.37) | BTKSYKMAPK8 | |
| Hydrochloric Acid SCHEMBL16766354 | 0.84 | BTK (0.36) | BTKSYKMAPK8 | |
| SCHEMBL16790973 | 0.84 | BRD4 (0.37) | BTKMAPK8 | |
| SCHEMBL16790985 | 0.83 | BTK (0.35) | BTKMAPK8LMNA | |
| SCHEMBL16765885 | 0.82 | BTK (0.53) | 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-3077384-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY | F. Hoffmann-La Roche AG (CH) | 2016-10-12 | — | — | EP | disclosed |
| WO-2015082583-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-11 | — | — | WO | disclosed |