Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 8/20 | 0.76 |
| ▸ | AR | P10275 | 6/20 | 0.76 |
| ▸ | LMNA | P02545 | 5/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.76 |
| ▸ | ESR1 | P03372 | 4/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.76 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.76 |
| ▸ | MEN1 | O00255 | 3/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.76 |
| ▸ | SHBG | P04278 | 3/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.76 |
| ▸ | POLB | P06746 | 1/20 | 0.76 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL25594418 | 1.00 | PGR (0.76) | PGRARLMNACYP3A4SLC6A4 | |
| SCHEMBL4107420 | 0.89 | PGR (0.66) | PGRARLMNACYP3A4SLC6A4 | |
| SCHEMBL13473537 | 0.87 | PGR (0.76) | PGRARLMNACYP3A4SLC6A4 | |
| Norgestrel SCHEMBL4319113 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL22364344 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL691861 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL20927506 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL21741985 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL27597 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 | |
| Levonorgestrel SCHEMBL3916570 | 0.86 | PGR (1.00) | PGRARLMNACYP3A4SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008068030-A2 | METHOD FOR THE PRODUCTION OF SECOL DERIVATIVES BY ENANTIOSELECTIVE ENZYMATIC REDUCTION OF SECODIONE DERIVATIVES BY MEANS OF OXIDOREDUCTASE/DEHYDROGENASE IN THE PRESENCE OF NADH OR NADPH | IEP GMBH (DE) | 2008-06-12 | — | — | WO | disclosed |