Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29377266 | 0.74 | AXL (0.48) | CYP2A6SPRADORA2AADORA1HSP90AA1 | |
| SCHEMBL660369 | 0.74 | AXL (0.48) | CYP2A6SPRADORA2AADORA1HSP90AA1 | |
| SCHEMBL27692247 | 0.72 | CYP2A6 (0.42) | CYP2A6PDPK1PARP1 | |
| SCHEMBL368657 | 0.69 | CYP2A6 (0.42) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL15391120 | 0.69 | HSP90AA1 (0.36) | CYP2A6SPRADORA2AADORA1HSP90AA1 | |
| SCHEMBL32691515 | 0.69 | SPR (0.36) | CYP2A6SPRADORA2AADORA1HSP90AA1 | |
| SCHEMBL22323360 | 0.69 | SPR (0.36) | CYP2A6SPRADORA2AADORA1HSP90AA1 | |
| SCHEMBL6455853 | 0.69 | HSP90AA1 (0.44) | CYP2A6ADORA2AADORA1HSP90AA1 | |
| SCHEMBL30081477 | 0.69 | ALDH1A1 (0.32) | PDPK1PARP1CCR1CCR5CCR8 | |
| SCHEMBL27953076 | 0.69 | AXL (0.53) | CYP2A6PDPK1PARP1ADORA2AADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3642201-A1 | ISOINDOLINONE DERIVATIVES AS IRAK4 MODULATORS | H. Hoffnabb-La Roche Ag (CH) | 2020-04-29 | — | — | EP | disclosed |
| WO-2018234342-A1 | ISOINDOLINONE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-12-27 | — | — | WO | disclosed |
| EP-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |