Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 16/20 | 0.65 |
| ▸ | HSD17B2 | P37059 | 16/20 | 0.65 |
| ▸ | HSD17B14 | Q9BPX1 | 3/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22396 | 0.77 | HSD17B1 (0.69) | HSD17B1HSD17B2HSD17B14CYP3A4CYP2D6 | |
| SCHEMBL10353029 | 0.73 | HSD17B1 (0.79) | HSD17B1HSD17B2HSD17B14 | |
| SCHEMBL22898 | 0.73 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10242015 | 0.72 | GAA (0.78) | — | |
| SCHEMBL4704845 | 0.70 | LTA4H (0.59) | — | |
| SCHEMBL7426301 | 0.70 | MEN1 (0.48) | CYP3A4CYP2D6ABL1 | |
| SCHEMBL12876927 | 0.69 | SIRT5 (0.53) | — | |
| SCHEMBL19419963 | 0.69 | KDM4E (0.76) | HSD17B1HSD17B2 | |
| SCHEMBL18186505 | 0.69 | SCD (0.58) | CYP3A4CYP2C19 | |
| SCHEMBL31759289 | 0.68 | NR1H4 (0.50) | HSD17B1HSD17B2HSD17B14CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | claimed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | claimed |