Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | DHPS | P49366 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30297934 | 0.86 | HTR6 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29715845 | 0.86 | APP (0.41) | CYP2D6ADORA1ADORA2AADORA2BCDC7 | |
| Hydrochloric Acid SCHEMBL30297929 | 0.85 | HTR6 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30298043 | 0.84 | HRH4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9ADORA1 | |
| SCHEMBL20508793 | 0.84 | HRH4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9ADORA1 | |
| Hydrochloric Acid SCHEMBL30297964 | 0.83 | HRH4 (0.44) | CYP1A2CYP2D6ADORA1ADORA2AHRH4 | |
| SCHEMBL30910330 | 0.81 | L3MBTL1 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19CDC7 | |
| SCHEMBL29246448 | 0.81 | L3MBTL1 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19CDC7 | |
| SCHEMBL20508772 | 0.80 | ADORA1 (0.45) | ADORA1ADORA2AADORA2BHTR6DYRK1A | |
| SCHEMBL20508822 | 0.80 | PDE8B (0.39) | ADORA1ADORA2AHRH4DYRK1ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061973-A | Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide | 辉瑞公司 | 2016-10-26 | — | — | CN | disclosed |