Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21960375 | 1.00 | ADRA1A (0.41) | ADRA1AHRH1ADRA1BACHENOS3 | |
| SCHEMBL21960917 | 0.94 | ACHE (0.39) | ADRA1AHRH1ADRA1BACHENOS3 | |
| SCHEMBL21961427 | 0.81 | MAP3K14 (0.36) | ACHEMAP3K14ALDH1A1KCNH2 | |
| SCHEMBL21961423 | 0.81 | MAP3K12 (0.39) | MAP3K14ALDH1A1KCNH2 | |
| SCHEMBL23880170 | 0.81 | NOS3 (0.33) | NOS3NOS1NOS2VCAM1ALDH1A1 | |
| SCHEMBL21964585 | 0.79 | SRC (0.37) | DRD2 | |
| SCHEMBL21960916 | 0.79 | ACHE (0.39) | ACHENOS3NOS1NOS2VCAM1 | |
| SCHEMBL21960387 | 0.79 | BRD4 (0.37) | ADRA1AHRH1ADRA1BCHRM3MAP3K14 | |
| SCHEMBL23880267 | 0.77 | BRD4 (0.34) | MAP3K14ALDH1A1 | |
| SCHEMBL21964565 | 0.77 | ACHE (0.34) | ACHEDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3478675-B1 | HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-22 | — | — | EP | disclosed |