Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL31361287 | 0.82 | CYP1A2 (0.36) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL30718312 | 0.81 | HSD11B1 (0.35) | ALDH1A1HSD11B1 | |
| SCHEMBL25072439 | 0.81 | HSD11B1 (0.35) | ALDH1A1HSD11B1 | |
| SCHEMBL15788362 | 0.69 | PDE10A (0.34) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL17517334 | 0.69 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL23122434 | 0.69 | PDE4A (0.34) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL31361254 | 0.68 | PDE5A (0.46) | NPC1RAB9A | |
| SCHEMBL6939619 | 0.68 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL25416765 | 0.67 | PDE5A (0.42) | — | |
| SCHEMBL12491359 | 0.66 | TRPM8 (0.34) | HSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119161346-A | Pyrrolo-ring compound and application thereof in medicine | 康百达（四川）生物医药科技有限公司 | 2024-12-20 | — | — | CN | disclosed |