Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 6/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.51 |
| ▸ | AR | P10275 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.51 |
| ▸ | PGR | P06401 | 3/20 | 0.51 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.51 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.51 |
| ▸ | MGAM | O43451 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SNCA | P37840 | 2/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.46 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8075351 | 1.00 | SHBG (0.51) | SHBGCYP19A1ARHSD17B10NR3C1 | |
| SCHEMBL8542467 | 0.83 | GABRA1 (0.41) | SHBGCYP19A1ARHSD17B10NR3C1 | |
| SCHEMBL8926937 | 0.81 | SRD5A2 (0.38) | SHBGARSERPINA6CYP3A4GPBAR1 | |
| SCHEMBL8927002 | 0.81 | AR (0.39) | SHBGARPGRSERPINA6CYP3A4 | |
| SCHEMBL8726847 | 0.80 | G6PD (0.42) | GPBAR1SRD5A2 | |
| SCHEMBL8726845 | 0.80 | G6PD (0.42) | GPBAR1SRD5A2 | |
| SCHEMBL8927033 | 0.79 | AR (0.36) | SHBGCYP19A1ARSERPINA6CYP3A4 | |
| SCHEMBL8927275 | 0.78 | AR (0.37) | ARSERPINA6CYP3A4GPBAR1SRD5A2 | |
| SCHEMBL8927180 | 0.78 | AR (0.36) | ARSRD5A2MAPT | |
| SCHEMBL10273585 | 0.77 | CYP19A1 (0.61) | SHBGCYP19A1ARHSD17B10NR3C1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641204-B1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO INC (US) | 2000-08-16 | — | — | EP | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5536727-A | TREATMENT OF HYPERANDROGENIC DISEASES | MERCK & CO., INC. (US) | 1996-07-16 | — | — | US | disclosed |
| EP-0641204-A4 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0641204-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | disclosed |