Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.79 |
| ▸ | CYP19A1 | P11511 | 14/20 | 0.64 |
| ▸ | STS | P08842 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ESR1 | P03372 | 2/20 | 0.64 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.64 |
| ▸ | SHBG | P04278 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | AR | P10275 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.64 |
| ▸ | SNCA | P37840 | 1/20 | 0.64 |
| ▸ | HTR2B | P41595 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL12593631 | 1.00 | HSD17B1 (0.79) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL1977286 | 0.88 | HSD17B1 (1.00) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL12379610 | 0.88 | HSD17B1 (1.00) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL7643585 | 0.84 | HSD17B1 (0.59) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL7176305 | 0.82 | HSD17B1 (0.80) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL12593499 | 0.80 | HSD17B1 (0.52) | HSD17B1CYP19A1STSLMNAESR1 | |
| SCHEMBL3964402 | 0.80 | SHBG (0.62) | HSD17B1CYP19A1STSLMNAESR1 | |
| Hydrochloric Acid SCHEMBL6409710 | 0.79 | SHBG (0.61) | HSD17B1CYP19A1STSLMNAESR1 | |
| Estrone SCHEMBL23529835 | 0.79 | CYP19A1 (0.95) | HSD17B1CYP19A1STSLMNAESR1 | |
| Estrone SCHEMBL7831317 | 0.78 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6080735-A | SUITABLE FOR HORMONAL CONTRACEPTION AND CLIMACTERIC HORMONE REPLACEMENT THERAPY (HRT) AS WELL AS FOR TREATMENT OF GYNECOLOGICAL AND ANDROLOGICAL DISEASES | JENAPHARM GMBH & CO. KG (DE) | 2000-06-27 | — | — | US | disclosed |