Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.59 |
| ▸ | PGR | P06401 | 7/20 | 0.59 |
| ▸ | AR | P10275 | 3/20 | 0.59 |
| ▸ | F2 | P00734 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 8/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9807822 | 1.00 | CYP3A4 (0.59) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL9807835 | 0.91 | PGR (0.55) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL9807831 | 0.91 | PGR (0.55) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL10803758 | 0.89 | PGR (0.70) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL9807826 | 0.89 | PGR (0.54) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL9807832 | 0.89 | PGR (0.54) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL10427903 | 0.89 | PGR (0.70) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL11237068 | 0.84 | ABCB11 (0.67) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL10356203 | 0.83 | PGR (0.66) | CYP3A4PGRARF2NR3C1 | |
| SCHEMBL10427859 | 0.83 | PGR (0.66) | CYP3A4PGRARF2NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0149464-B1 | 6-ALPHA, 16-BETA-DIMETHYL STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-04-17 | — | — | EP | disclosed |
| US-4777165-A | 6α, 16β-dimethyl corticoids and their anti-inflammatory use | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-10-11 | — | — | US | disclosed |