Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ABHD10 | Q9NUJ1 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20006330 | 0.70 | CYP3A4 (0.48) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24180242 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL27655154 | 0.69 | ALDH1A1 (0.50) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24180276 | 0.68 | ABCG2 (0.43) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24180151 | 0.66 | KDM4E (0.39) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL28025562 | 0.65 | CYP3A4 (0.45) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL29169330 | 0.65 | ALDH1A1 (0.63) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24180282 | 0.64 | CYP3A4 (0.40) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24426924 | 0.64 | CYP3A4 (0.40) | ALDH1A1KDM4EABCG2CYP3A4HPGD | |
| SCHEMBL24180209 | 0.63 | CYP3A4 (0.36) | ALDH1A1KDM4EABCG2CYP3A4HPGD |
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-3998257-A1 | FLAVAGLINE DERIVATIVES | PIERRE FABRE MEDICAMENT (FR) | 2022-05-18 | — | — | EP | disclosed |