Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.40 |
| ▸ | NOS1 | P29475 | 4/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | SIGLEC9 | Q9Y336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795443 | 0.88 | ROCK2 (0.44) | NOS2NOS1NOS3ROCK2CYP3A4 | |
| SCHEMBL21590374 | 0.84 | ALDH1A1 (0.55) | NOS2NOS1NOS3MAPT | |
| SCHEMBL21590382 | 0.78 | NOS2 (0.44) | NOS2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL21590376 | 0.76 | HRH4 (0.46) | NOS2 | |
| SCHEMBL15390490 | 0.72 | MALT1 (0.39) | NOS2NOS1NOS3 | |
| SCHEMBL3911208 | 0.72 | ITGB3 (0.42) | LMNA | |
| SCHEMBL4693278 | 0.71 | MAPT (0.51) | KDM4ELMNAMAPT | |
| SCHEMBL17303596 | 0.71 | GBA1 (0.54) | ROCK2CYP3A4MAPT | |
| SCHEMBL21606962 | 0.71 | ALDH1A1 (0.62) | KDM4EMAPT | |
| SCHEMBL15829881 | 0.70 | MAPT (0.45) | ROCK2CYP3A4MAPT |
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-3807271-A1 | PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238629-A1 | PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |