Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | STS | P08842 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8769807 | 1.00 | ESR1 (0.68) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL7887971 | 0.84 | LMNA (0.65) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL6464943 | 0.84 | LMNA (0.65) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL6464942 | 0.84 | LMNA (0.65) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL8040990 | 0.81 | ESR1 (1.00) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL8040996 | 0.81 | ESR1 (1.00) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL8769839 | 0.80 | ESR1 (0.58) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL16140032 | 0.78 | LMNA (0.72) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL544801 | 0.78 | LMNA (0.72) | ESR1LMNAHSD17B1MAPTRECQL | |
| SCHEMBL12473458 | 0.78 | LMNA (0.72) | ESR1LMNAHSD17B1MAPTRECQL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0785211-A1 | New substituted 19-nor-pregnane derivatives | LABORATOIRE THERAMEX (MC) | 1997-07-23 | — | — | EP | disclosed |