Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6365584 | 0.80 | CYP2C19 (0.50) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL4689732 | 0.78 | CYP2C19 (0.48) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL16150052 | 0.78 | CYP2C19 (0.48) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL24026906 | 0.76 | CYP1A2 (0.43) | CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL6860579 | 0.76 | CYP2C19 (0.45) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL6366401 | 0.75 | CYP2C19 (0.45) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL6366405 | 0.75 | CYP2C19 (0.45) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL4929033 | 0.71 | CYP2C19 (0.40) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| SCHEMBL3421776 | 0.69 | ALDH1A1 (0.74) | CYP2C19CYP1A2ALDH1A1USP2LMNA | |
| Cyclohexane SCHEMBL9536108 | 0.69 | CYP2C19 (0.58) | CYP2C19CYP1A2ALDH1A1USP2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180094-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000073259-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2000-12-07 | — | — | WO | disclosed |