Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLS | O94925 | 2/20 | 0.47 |
| ▸ | VEGFA | P15692 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23301852 | 1.00 | ALDH1A1 (0.49) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL25487258 | 0.91 | ALDH1A1 (0.53) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL28662739 | 0.90 | FAAH (0.49) | ALDH1A1NPSR1KDM4EVEGFAEGLN1 | |
| SCHEMBL29190915 | 0.90 | FAAH (0.47) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL20567152 | 0.88 | FAAH (0.48) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL20567000 | 0.88 | ALDH1A1 (0.45) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL25978382 | 0.87 | VEGFA (0.47) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL29942743 | 0.85 | IDO1 (0.48) | KDM4EGLSVEGFAEGLN1IDO1 | |
| Hydrochloric Acid SCHEMBL23301521 | 0.84 | IDO1 (0.48) | ALDH1A1NPSR1KDM4EGLSVEGFA | |
| SCHEMBL30834656 | 0.84 | VEGFA (0.52) | ALDH1A1NPSR1KDM4EVEGFAEGLN1 |
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-4051674-A1 | BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2022-09-07 | — | — | EP | disclosed |