Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701234 | 1.00 | ESR1 (0.49) | ESR1CYP19A1ESR2PTGS2ATM | |
| SCHEMBL7596988 | 0.83 | ESR1 (0.49) | ESR1CYP19A1ESR2 | |
| SCHEMBL7596993 | 0.83 | ESR1 (0.49) | ESR1CYP19A1ESR2 | |
| SCHEMBL23586398 | 0.80 | ESR1 (0.49) | ESR1CYP19A1ESR2 | |
| SCHEMBL7598079 | 0.79 | ESR1 (0.43) | ESR1CYP19A1ESR2PTGS2 | |
| SCHEMBL7598076 | 0.79 | ESR1 (0.43) | ESR1CYP19A1ESR2PTGS2 | |
| SCHEMBL7603602 | 0.77 | ESR1 (0.41) | ESR1CYP19A1PTGS2 | |
| SCHEMBL7603604 | 0.77 | ESR1 (0.41) | ESR1CYP19A1PTGS2 | |
| SCHEMBL7600265 | 0.76 | ESR1 (0.61) | ESR1CYP19A1ESR2 | |
| SCHEMBL7600262 | 0.76 | ESR1 (0.61) | ESR1CYP19A1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002066415-A2 | NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2002-08-29 | — | — | WO | disclosed |