Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.56 |
| ▸ | BACE1 | P56817 | 7/20 | 0.56 |
| ▸ | BCHE | P06276 | 6/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002873 | 1.00 | ACHE (0.56) | ACHEBACE1BCHEDRD4DRD2 | |
| SCHEMBL20002589 | 0.83 | BCHE (0.43) | ACHEBACE1BCHEDRD4 | |
| SCHEMBL20003099 | 0.83 | BCHE (0.43) | ACHEBACE1BCHE | |
| SCHEMBL7023032 | 0.76 | HTR2A (0.49) | ACHE | |
| SCHEMBL2729881 | 0.74 | DRD4 (0.48) | DRD4 | |
| SCHEMBL7027090 | 0.74 | HTR2A (0.52) | — | |
| SCHEMBL6041781 | 0.73 | SLC18A3 (0.58) | ACHEBACE1BCHE | |
| SCHEMBL20002470 | 0.72 | PDE4B (0.31) | ACHEBACE1BCHE | |
| SCHEMBL19493714 | 0.72 | SLC18A3 (0.70) | ACHEBACE1BCHEDRD4 | |
| SCHEMBL8553491 | 0.71 | ACHE (0.57) | ACHEBACE1BCHEDRD4DRD2 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |