Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL12987863 | 0.82 | CYP2D6 (0.38) | ESR1ESR2CYP2D6 | |
| SCHEMBL14968308 | 0.82 | ESR1 (0.45) | ESR1ESR2CYP2D6 | |
| SCHEMBL14968232 | 0.80 | — | — | |
| SCHEMBL14967961 | 0.78 | MAOB (0.40) | ESR1ESR2 | |
| SCHEMBL12987680 | 0.74 | SHBG (0.40) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL2847258 | 0.71 | MC4R (0.35) | CYP2D6 | |
| SCHEMBL1554814 | 0.70 | MIF (0.39) | MIFESR1ESR2 | |
| SCHEMBL25459623 | 0.65 | ESR1 (0.42) | MIFESR1ESR2 | |
| SCHEMBL29890111 | 0.65 | ESR1 (0.42) | MIFESR1ESR2 | |
| SCHEMBL14232922 | 0.64 | KMT2A (0.49) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900242-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2015-08-05 | — | — | EP | disclosed |
| EP-2780337-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074388-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |