Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18198138 | 0.83 | DRD2 (0.44) | DRD2DRD4DRD3 | |
| SCHEMBL18198137 | 0.79 | DRD2 (0.41) | DRD2DRD4DRD3ALDH1A1MAPK1 | |
| SCHEMBL14234863 | 0.78 | DRD2 (0.42) | DRD2DRD4DRD3MAPTALDH1A1 | |
| SCHEMBL14930268 | 0.74 | KDM4E (0.35) | MAP4K4MAPTLMNARXFP1ALDH1A1 | |
| SCHEMBL14912399 | 0.73 | MAP4K4 (0.36) | MAP4K4MAPTLMNARXFP1ALDH1A1 | |
| SCHEMBL14934068 | 0.73 | DRD2 (0.36) | DRD2DRD4DRD3LMNAKMT2A | |
| SCHEMBL9901654 | 0.70 | SIGMAR1 (0.53) | DRD2DRD4DRD3LMNAALDH1A1 | |
| SCHEMBL19965804 | 0.70 | BTK (0.38) | ACHEMAPTRXFP1ALDH1A1KDM4E | |
| SCHEMBL29777616 | 0.70 | MAP4K4 (0.36) | ACHEMAP4K4LMNARXFP1ALDH1A1 | |
| SCHEMBL23652719 | 0.69 | HDAC6 (0.41) | DRD3MAPTRXFP1ALDH1A1KDM4E |
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-3002284-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2016-04-06 | — | — | EP | disclosed |
| EP-2773638-B1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | HOFFMANN LA ROCHE (CH) | 2015-10-07 | — | — | EP | disclosed |