Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14968332 | 0.82 | MIF (0.33) | ESR1CYP2D6ESR2 | |
| SCHEMBL12987863 | 0.82 | CYP2D6 (0.38) | ESR1MEN1KMT2ANPSR1CYP3A4 | |
| SCHEMBL14967961 | 0.78 | MAOB (0.40) | ESR1HSD17B10BACE1SLC6A4SMN1; SMN2 | |
| SCHEMBL14968342 | 0.74 | S1PR1 (0.43) | MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7019221 | 0.72 | CNR1 (0.47) | MEN1KMT2ACNR1CNR2SMN1; SMN2 | |
| SCHEMBL14968232 | 0.67 | — | — | |
| SCHEMBL4609048 | 0.66 | DPP4 (0.38) | CNR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3453709 | 0.66 | MAOB (0.37) | NPSR1CNR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12987680 | 0.65 | SHBG (0.40) | ESR1HSD17B10ALDH1A1ESR2 | |
| SCHEMBL20060877 | 0.65 | ESR1 (0.65) | ESR1HSD17B10TTRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |