Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203514 | 0.82 | SLC6A2 (0.49) | CYP3A4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL20833999 | 0.78 | CA12 (0.36) | CYP3A4TSHRALDH1A1MAPK1HSD17B10 | |
| SCHEMBL7714921 | 0.76 | ALDH1A1 (0.40) | CYP3A4TSHRALDH1A1MAPK1ESR2 | |
| SCHEMBL24516467 | 0.76 | ALDH1A1 (0.60) | CYP3A4TSHRALDH1A1MAPK1THRB | |
| SCHEMBL23081466 | 0.75 | GAA (0.32) | CYP3A4TSHRALOX15HSD17B10NPC1 | |
| SCHEMBL20053694 | 0.74 | ALDH1A1 (0.50) | CYP3A4ALDH1A1THRBCA1CA2 | |
| SCHEMBL10333201 | 0.74 | TSHR (0.54) | CYP3A4TSHRALDH1A1MAPK1ESR2 | |
| SCHEMBL3786798 | 0.74 | CYP3A4 (0.54) | CYP3A4TSHRALDH1A1MAPK1ESR2 | |
| SCHEMBL7680719 | 0.74 | MEN1 (0.45) | CYP3A4TSHRALDH1A1MAPK1ESR2 | |
| SCHEMBL1596051 | 0.73 | TSHR (0.58) | CYP3A4TSHRALDH1A1MAPK1ESR2 |
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-3604301-A1 | 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME | FUJIFILM Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |