Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22810211 | 0.81 | NQO2 (0.39) | ACHECYP1A2ALDH1A1 | |
| SCHEMBL22810313 | 0.80 | ACHE (0.39) | ACHECYP2A6CYP1A2PARP1ALDH1A1 | |
| SCHEMBL22810347 | 0.78 | ACHE (0.41) | ACHECYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL19154180 | 0.73 | CYP1A2 (0.48) | ACHECYP2A6CYP1A2PARP1ALDH1A1 | |
| SCHEMBL5250290 | 0.72 | ACHE (0.39) | ACHECYP2A6CYP1A2PARP1ALDH1A1 | |
| SCHEMBL20356032 | 0.69 | CYP1A2 (0.35) | CYP1A2ALDH1A1 | |
| SCHEMBL5979692 | 0.68 | — | — | |
| SCHEMBL5253398 | 0.67 | ACHE (0.42) | ACHECYP2A6CYP1A2PARP1ALDH1A1 | |
| SCHEMBL20356037 | 0.67 | DAO (0.36) | ACHECYP1A2PARP1ALDH1A1 | |
| SCHEMBL30366470 | 0.67 | DAO (0.36) | ACHECYP1A2PARP1ALDH1A1 |
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-2020254322-A1 | NEW TRICYCLIC 5-HT2 ANTAGONISTS | ANAMAR AB (SE) | 2020-12-24 | — | — | WO | disclosed |