Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 11/20 | 0.71 |
| ▸ | CA1 | P00915 | 3/20 | 0.66 |
| ▸ | CA2 | P00918 | 3/20 | 0.66 |
| ▸ | CA9 | Q16790 | 3/20 | 0.66 |
| ▸ | CA5A | P35218 | 2/20 | 0.66 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | ESR1 | P03372 | 2/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.63 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.63 |
| ▸ | SHBG | P04278 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | PGR | P06401 | 1/20 | 0.63 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.63 |
| ▸ | AR | P10275 | 1/20 | 0.63 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869676 | 0.89 | STS (0.70) | STSCA1CA2CA9CA5A | |
| SCHEMBL712799 | 0.89 | STS (0.70) | STSCA1CA2CA9CA5A | |
| SCHEMBL8411741 | 0.83 | STS (1.00) | STSCA1CA2CA9CA5A | |
| SCHEMBL12054334 | 0.82 | STS (0.77) | STSCA1CA2CA9CA5A | |
| SCHEMBL3825597 | 0.82 | STS (0.77) | STSCA1CA2CA9CA5A | |
| SCHEMBL9613396 | 0.82 | STS (0.77) | STSCA1CA2CA9CA5A | |
| SCHEMBL31321077 | 0.82 | STS (0.77) | STSCA1CA2CA9CA5A | |
| Estrone SCHEMBL3825602 | 0.82 | STS (0.81) | STSCA1CA2CA9CA5A | |
| SCHEMBL17515290 | 0.82 | STS (0.61) | STSCA1CA2CA9CA5A | |
| SCHEMBL8408431 | 0.81 | HSD17B1 (0.59) | STSCA1CA2CA9CA5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5866603-A | Derivatives of estra 1,3,5(10)triene-17-one, 3-amino compounds and their use | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1999-02-02 | — | — | US | disclosed |
| US-5677292-A | ESTROGEN SENSITIVE DISEASES; BREAST CANCER | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1997-10-14 | — | — | US | disclosed |
| US-5571933-A | Derivatives of estra 1,3,5(10)triene-17-one, 3-amino compounds and their use | DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) | 1996-11-05 | — | — | US | disclosed |