Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 1.00 |
| ▸ | HSD17B2 | P37059 | 8/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | HSD17B14 | Q9BPX1 | 5/20 | 0.56 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | BAD | Q92934 | 1/20 | 0.50 |
| ▸ | TOP1 | P11387 | 2/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.48 |
| ▸ | GCGR | P47871 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29673 | 0.85 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31405 | 0.82 | HSD17B1 (0.70) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4088536 | 0.81 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30687 | 0.80 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27623260 | 0.80 | HSD17B1 (0.67) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1304947 | 0.80 | HSD17B1 (0.66) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31407 | 0.79 | HSD17B1 (0.79) | HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14020417 | 0.79 | HSD17B1 (0.64) | HSD17B1HSD17B2BCL2MCL1BAD | |
| SCHEMBL24751 | 0.78 | HSD17B1 (0.62) | HSD17B1HSD17B2BCL2MCL1BAD | |
| SCHEMBL6319718 | 0.77 | ALDH1A1 (0.66) | HSD17B1HSD17B2MCL1DYRK1AALDH1A1 |
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 5 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 |
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |