Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ACP1 | P24666 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL17728325 | 0.95 | ESR1 (0.52) | ESR1ESR2CYP19A1ERAP1HSD17B3 | |
| SCHEMBL9957161 | 0.91 | CYP19A1 (0.62) | ESR1ESR2CYP19A1 | |
| SCHEMBL17728326 | 0.89 | CYP19A1 (0.48) | ESR1ESR2CYP19A1KDM4EGAA | |
| SCHEMBL5139700 | 0.78 | ESR1 (0.84) | ESR1ESR2CYP19A1ERAP1HSD17B3 | |
| SCHEMBL14428674 | 0.78 | ESR1 (0.68) | ESR1ESR2 | |
| SCHEMBL5167693 | 0.78 | ESR1 (0.68) | ESR1ESR2 | |
| SCHEMBL5142252 | 0.77 | CYP19A1 (0.74) | ESR1ESR2CYP19A1ERAP1HSD17B3 | |
| SCHEMBL14428675 | 0.76 | ESR1 (0.63) | ESR1ESR2CYP19A1ERAP1HSD17B3 | |
| SCHEMBL25079563 | 0.75 | ESR1 (0.71) | ESR1ESR2CYP19A1ERAP1HSD17B3 | |
| SCHEMBL13346053 | 0.73 | ESR1 (0.79) | ESR1ESR2CYP19A1ERAP1HSD17B3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9540361-B2 | N-substituted azetidine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2017-01-10 | — | — | US | disclosed |
| US-9540361-B2 | N-substituted azetidine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2017-01-10 | — | — | US | disclosed |
| EP-2655367-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | Merck Sharp & Dohme B.V. (NL) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012084711-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | MSD OSS B.V. (NL) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012084711-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | MSD OSS B.V. (NL) | 2012-06-28 | — | — | WO | disclosed |