Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.67 |
| ▸ | CASP3 | P42574 | 1/20 | 0.67 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.67 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.67 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.51 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | STS | P08842 | 2/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10600767 | 0.81 | MAPT (0.60) | POLBCASP3SENP8SENP7SENP6 | |
| SCHEMBL23779 | 0.80 | HSD17B2 (0.67) | — | |
| SCHEMBL23125 | 0.80 | HSD17B2 (0.65) | KDM4ESMN1; SMN2NPC1ALDH1A1MAPT | |
| SCHEMBL18195278 | 0.80 | HSD17B2 (0.65) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL23127 | 0.79 | CES2 (0.54) | POLBCASP3SENP8SENP7SENP6 | |
| SCHEMBL23041066 | 0.79 | NPC1 (0.65) | CES2CES1PARP1STSSMN1; SMN2 | |
| SCHEMBL31414638 | 0.79 | CES2 (0.77) | CES2CES1PARP1STSSMN1; SMN2 | |
| SCHEMBL4823687 | 0.79 | CES2 (0.77) | CES2CES1PARP1STSSMN1; SMN2 | |
| SCHEMBL21820 | 0.78 | HSD17B1 (0.63) | — | |
| SCHEMBL12688063 | 0.78 | HSD17B2 (0.70) | POLBCASP3SENP8SENP7SENP6 |
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 3 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 | 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 |