Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL23754028 | 0.84 | ERN1 (0.32) | ALDH1A1CYP2A6PTGS2 | |
| SCHEMBL493981 | 0.84 | SRC (0.45) | SRCALDH1A3ALDH1A1CYP2A6PTGS1 | |
| SCHEMBL19125728 | 0.78 | SRC (0.41) | SRCALDH1A3ALDH1A1CYP2A6PTGS1 | |
| SCHEMBL29950733 | 0.78 | SRC (0.41) | SRCALDH1A3ALDH1A1CYP2A6PTGS1 | |
| SCHEMBL25520437 | 0.78 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL6740604 | 0.77 | ERN1 (0.45) | SRCPTGS1PTGS2 | |
| SCHEMBL29686950 | 0.75 | ALDH1A1 (0.43) | SRCALDH1A3ALDH1A1CYP2A6PTGS1 | |
| SCHEMBL6015140 | 0.75 | SRC (0.45) | SRCALDH1A3ALDH1A1CYP2A6 | |
| SCHEMBL15066647 | 0.75 | CYP2A6 (0.40) | SRCALDH1A3ALDH1A1CYP2A6PTGS2 | |
| SCHEMBL6738294 | 0.72 | SRC (0.49) | SRCALDH1A1CYP2A6 |
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-2021160718-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-08-19 | — | — | WO | disclosed |