Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | COASY | Q13057 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL18484160 | 0.87 | ADORA3 (0.44) | DYRK1AADORA3ADORA1ADORA2ACOASY | |
| SCHEMBL19205626 | 0.87 | ADORA3 (0.44) | DYRK1AADORA3ADORA1ADORA2ACOASY | |
| SCHEMBL22270677 | 0.85 | ATP1A1 (0.43) | MAPK1LMNAMAPTP2RX3LDHA | |
| SCHEMBL22270578 | 0.85 | ALDH1A1 (0.47) | MAPTLDHA | |
| SCHEMBL19205739 | 0.82 | ALDH1A1 (0.46) | DYRK1AADORA3ADORA1ADORA2ACOASY | |
| SCHEMBL19205729 | 0.74 | RORC (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL19205728 | 0.74 | RORC (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL22270657 | 0.74 | SOS1 (0.39) | SOS1LMNATP53 | |
| SCHEMBL19205733 | 0.71 | ATP1A1 (0.44) | P2RX3LDHA | |
| SCHEMBL19205734 | 0.71 | ATP1A1 (0.44) | P2RX3LDHA |
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-3686187-A1 | PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-07-29 | — | — | EP | disclosed |