Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ABHD10 | Q9NUJ1 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | EIF4A1 | P60842 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24180230 | 0.90 | CYP3A4 (0.37) | CYP3A4ALDH1A1KDM4EMAPK1ABCG2 | |
| SCHEMBL24180139 | 0.90 | DHPS (0.31) | — | |
| SCHEMBL24180227 | 0.89 | CYP3A4 (0.36) | CYP3A4ALDH1A1KDM4EMAPK1ABCG2 | |
| SCHEMBL24180269 | 0.88 | ESR1 (0.33) | CYP3A4ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL24180223 | 0.84 | AURKA (0.37) | ABCB1 | |
| SCHEMBL24426914 | 0.84 | EGFR (0.39) | KDM4ENPSR1 | |
| SCHEMBL24180209 | 0.81 | CYP3A4 (0.36) | CYP3A4ALDH1A1KDM4EMAPK1ABCG2 | |
| SCHEMBL24426924 | 0.75 | CYP3A4 (0.40) | CYP3A4ALDH1A1KDM4EMAPK1ABCG2 | |
| SCHEMBL24180282 | 0.75 | CYP3A4 (0.40) | CYP3A4ALDH1A1KDM4EMAPK1ABCG2 | |
| SCHEMBL24180260 | 0.74 | CYP3A4 (0.33) | CYP3A4ALDH1A1KDM4EMAPK1KMT2A |
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 |