Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 6/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL2087675 | 0.81 | BRD4 (0.48) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL2173595 | 0.75 | HTR6 (0.52) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL2879711 | 0.73 | HTR6 (0.39) | HTR6CNR2CNR1 | |
| SCHEMBL29469804 | 0.71 | CDK2 (0.56) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL2087997 | 0.69 | FBP1 (0.43) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL3705401 | 0.68 | CA2 (0.47) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL2088849 | 0.67 | FBP1 (0.47) | HTR6CNR2BRD4CYP19A1NQO2 | |
| SCHEMBL29581383 | 0.66 | HTR6 (0.60) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL529620 | 0.66 | HTR6 (0.60) | HTR6CA9CA2CA12CA1 | |
| SCHEMBL2174841 | 0.66 | ADORA3 (0.44) | HTR6CA9CA2CA12CA1 |
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-2227452-A2 | PYRIDINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009068468-A2 | PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |