Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 13/20 | 1.00 |
| ▸ | HSD17B2 | P37059 | 12/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | HSD17B14 | Q9BPX1 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL544007 | 0.77 | HTT (0.69) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29673 | 0.77 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31056 | 0.76 | HSD17B1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL29947433 | 0.75 | HSD17B1 (0.60) | HSD17B1HSD17B2HTTNPC1LMNA | |
| SCHEMBL24730459 | 0.75 | HSD17B1 (0.60) | HSD17B1HSD17B2HTTNPC1LMNA | |
| SCHEMBL31155 | 0.74 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5536580 | 0.72 | HTT (1.00) | HSD17B1HSD17B2CYP2D6CYP1A2HTT | |
| SCHEMBL14509024 | 0.71 | HTT (0.78) | HSD17B1HSD17B2HTTTP53SMN1; SMN2 | |
| SCHEMBL2482877 | 0.67 | HTT (0.61) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12351738 | 0.66 | RAB9A (1.00) | HSD17B1HSD17B2NPC1LMNATP53 |
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 |