Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 3/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8088710 | 0.87 | AKR1C3 (0.56) | HSD11B1AKR1C3MAPK1TSHRHSD17B10 | |
| SCHEMBL7827752 | 0.84 | HSD11B1 (0.69) | HSD11B1MAPK1HSD17B10ESR1ESR2 | |
| SCHEMBL7830895 | 0.84 | HSD11B1 (0.69) | HSD11B1MAPK1HSD17B10ESR1ESR2 | |
| SCHEMBL8088769 | 0.80 | AKR1C3 (0.59) | AKR1C3MAPK1TSHRHSD17B10ESR1 | |
| SCHEMBL1657336 | 0.75 | HSD11B1 (0.67) | HSD11B1MAPK1HSD17B10ESR1ESR2 | |
| SCHEMBL8089481 | 0.73 | HSD11B1 (0.52) | HSD11B1MAPK1HSD17B10ESR1MAPT | |
| SCHEMBL8089786 | 0.72 | HSD11B1 (0.45) | HSD11B1 | |
| SCHEMBL1657830 | 0.72 | HSD11B1 (0.69) | HSD11B1HSD17B10ESR1ESR2MAPT | |
| SCHEMBL7830892 | 0.72 | HSD11B1 (0.69) | HSD11B1HSD17B10ESR1ESR2MAPT | |
| SCHEMBL7830967 | 0.70 | ALDH1A1 (0.46) | HSD11B1LMNAKDM4EALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6136800-A | STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |
| US-6018062-A | SUCH AS 17-DIFLUOROMETHYLENE-ESTRA-1,3,5(10)-TRIEN-3-OL; USE AS ANTIOXIDANTS AND VASCULOPROTECTIVE AGENTS AS THEY CAUSE VASODILATOR NITROGEN OXIDE RELEASE AND PREVENT OXIDATION OF LDL CHOLESTEROL | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |