Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | STS | P08842 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2854229 | 0.84 | CA2 (0.49) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL2856714 | 0.83 | ESR1 (0.64) | HSD17B1ESR1CYP19A1CA2CA9 | |
| SCHEMBL2855545 | 0.82 | STS (0.52) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL2858825 | 0.82 | STS (0.52) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL2849377 | 0.82 | STS (0.66) | STSCA2CA9 | |
| SCHEMBL2849680 | 0.82 | STS (0.47) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL2853440 | 0.81 | HSD17B1 (0.46) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL3383953 | 0.81 | ESR1 (0.49) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL3379141 | 0.81 | CA2 (0.63) | HSD17B1ESR1CYP19A1STSCA2 | |
| SCHEMBL3379139 | 0.81 | CA2 (0.63) | HSD17B1ESR1CYP19A1STSCA2 |
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-1594884-B1 | ANTITUMORAL 18A-HOMOESTRA-1,3,5(10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES | STERIX LTD (GB) | 2010-01-13 | — | — | EP | claimed |