Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ESRRA | P11474 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8776086 | 0.83 | ESR1 (0.54) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL8775965 | 0.83 | STS (0.34) | ESR1ESR2HSD17B10LMNACYP1A2 | |
| SCHEMBL16485139 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL24103217 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL24103220 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL24583080 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL14569768 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL2854638 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL8505904 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 | |
| SCHEMBL2854643 | 0.72 | ESR1 (0.63) | ESR1HDAC3HDAC6ESR2HSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0740708-B1 | DESIGN OF DRUGS INVOLVING RECEPTOR-LIGAND-DNA INTERACTIONS | HENDRY LAWRENCE B (US) | 2004-08-04 | — | — | EP | disclosed |
| US-20020064790-A1 | Design of drugs involving receptor-ligand-DNA interactions | HENDRY LAWRENCE B (US) | 2002-05-30 | — | — | US | disclosed |
| US-5888741-A | Computer-based design and screening of molecules using DNA interactions | HENDRY LAWRENCE B (US) | 1999-03-30 | — | — | US | disclosed |
| US-5888738-A | Design of drugs involving receptor-ligand-DNA interactions | HENDRY LAWRENCE B (US) | 1999-03-30 | — | — | US | disclosed |
| US-5705335-A | Design of drugs involving receptor-ligand-DNA interactions | HENDRY LAWRENCE B (US) | 1998-01-06 | — | — | US | disclosed |
| EP-0719276-B1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | US HEALTH (US) | 1997-11-26 | — | — | EP | disclosed |
| US-5554603-A | 11,17-DINITRATES; USE TO ACHIEVE ESTROGENIC EFFECT IN FEMALE MAMMALS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-09-10 | — | — | US | disclosed |
| WO-1995007925-A1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-03-23 | — | — | WO | disclosed |