Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | HTR2B | P41595 | 2/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL13955039 | 0.76 | NOS1 (0.43) | NOS3NOS1 | |
| SCHEMBL2674281 | 0.74 | CHRNB2 (0.42) | NOS3NOS1HTR2CHTR2BHTR2A | |
| SCHEMBL6616471 | 0.74 | HTR2C (0.44) | NOS3NOS1HTR2CHTR2BHTR2A | |
| Hydrochloric Acid SCHEMBL23163882 | 0.72 | CHRNB2 (0.41) | NOS3NOS1HTR2CHTR2BHTR2A | |
| SCHEMBL18685321 | 0.71 | NOS3 (0.35) | NOS3NOS1 | |
| SCHEMBL17679887 | 0.67 | PARP1 (0.34) | NOS3NOS1 | |
| SCHEMBL22724570 | 0.67 | HTR2C (0.35) | HTR2CHTR2BHTR2A | |
| SCHEMBL22596444 | 0.65 | NOS3 (0.34) | NOS3NOS1 | |
| SCHEMBL21400914 | 0.65 | — | — | |
| Trifluoroacetic Acid SCHEMBL21493067 | 0.63 | CHRNA7 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |