Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.65 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8662653 | 1.00 | ESR1 (0.70) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL641477 | 0.88 | ESR1 (0.80) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL7238545 | 0.83 | ESR1 (0.68) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL7238542 | 0.83 | ESR1 (0.68) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL23851086 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL639225 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL5354173 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL7723356 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL5354177 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR | |
| SCHEMBL5818558 | 0.82 | ESR1 (1.00) | ESR1CYP19A1ESR2PTGS2PGR |
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-6916800-B2 | Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent | PFIZER INC (US) | 2005-07-12 | — | — | US | disclosed |
| US-6833373-B1 | N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer | G.D. SEARLE & CO. | 2004-12-21 | — | — | US | disclosed |
| US-5821254-A | BREAST CANCER | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-10-13 | — | — | US | disclosed |