Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13058811 | 0.86 | SLC6A11 (0.44) | CHEK1SRD5A1SLC6A11HDAC1HDAC2 | |
| SCHEMBL18032698 | 0.83 | DPP4 (0.42) | SRD5A1SLC6A11HDAC1HDAC2GABRA1 | |
| SCHEMBL18699216 | 0.81 | ESR1 (0.34) | HSD17B1HSD17B2ESR1ESR2PGR | |
| SCHEMBL13082174 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL18699181 | 0.78 | — | — | |
| SCHEMBL18699206 | 0.77 | CASP3 (0.35) | — | |
| SCHEMBL13894519 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL18032694 | 0.74 | PGR (0.45) | PGR | |
| SCHEMBL12892635 | 0.72 | MEN1 (0.42) | HSD17B1HSD17B2ESR1ESR2KCNH2 | |
| SCHEMBL18699156 | 0.71 | CHEK1 (0.40) | CHEK1HDAC1HDAC2GABRA1GABRG2 |
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-2205657-B1 | KETOPYRROLES AS ORGANIC SEMICONDUCTORS | BASF SE (DE) | 2017-04-05 | — | — | EP | disclosed |