Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2576288 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL2572636 | 0.65 | CYP11B2 (0.36) | — | |
| SCHEMBL6837080 | 0.65 | PRKACA (0.36) | — | |
| SCHEMBL6837181 | 0.62 | ESR2 (0.34) | ESR1ESR2 | |
| SCHEMBL7489345 | 0.61 | CDK2 (0.35) | ESR1ESR2 | |
| SCHEMBL227930 | 0.58 | METAP1 (0.47) | CYP19A1 | |
| SCHEMBL369723 | 0.58 | PRKACA (0.34) | — | |
| SCHEMBL5944129 | 0.57 | — | — | |
| SCHEMBL17669977 | 0.56 | — | — | |
| SCHEMBL8241598 | 0.56 | CCNA2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012006760-A1 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012008999-A2 | TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |