Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23634012 | 0.72 | L3MBTL1 (0.36) | CHRNA7 | |
| SCHEMBL11221605 | 0.61 | — | — | |
| SCHEMBL12203799 | 0.61 | MAPK1 (0.49) | ALDH1A1CYP2C9TSHRMAPK1HPGD | |
| SCHEMBL24059764 | 0.60 | ALDH1A1 (0.38) | ALDH1A1CYP2C9TSHRMAPK1HPGD | |
| SCHEMBL18629155 | 0.59 | ALDH1A1 (0.37) | ALDH1A1CYP2C9TSHRMAPK1 | |
| SCHEMBL10304510 | 0.59 | ALDH1A1 (0.37) | ALDH1A1CYP2C9TSHRMAPK1 | |
| SCHEMBL10304437 | 0.59 | ALDH1A1 (0.37) | ALDH1A1CYP2C9TSHRMAPK1 | |
| SCHEMBL15471013 | 0.59 | PIK3CD (0.31) | — | |
| SCHEMBL15013873 | 0.58 | — | — | |
| SCHEMBL15134202 | 0.58 | — | — |
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-3427738-B1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMA (US) | 2021-12-01 | — | — | EP | disclosed |