Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL694880 | 0.86 | MAPK14 (0.42) | KDM4EMAPTHTR2AHTR2CMAPK14 | |
| SCHEMBL4280065 | 0.83 | MAOA (0.53) | ESR1ESR2CYP19A1NPSR1MAOA | |
| SCHEMBL695360 | 0.81 | F2 (0.48) | ESR1ESR2CYP19A1NPSR1MAOA | |
| SCHEMBL27882145 | 0.81 | ESR1 (0.61) | ESR1ESR2CYP19A1NPSR1MEN1 | |
| SCHEMBL25035 | 0.74 | ALDH1A1 (0.61) | MAOAMAOBMEN1ALDH1A1KMT2A | |
| SCHEMBL695828 | 0.73 | MAPK14 (0.40) | MAOAMAOBKDM4EMAPTHTR2A | |
| SCHEMBL699697 | 0.72 | ESR1 (0.65) | ESR1ESR2MEN1ALDH1A1KMT2A | |
| SCHEMBL694353 | 0.72 | MAPK14 (0.39) | KDM4EMAPTHTR2AHTR2CMAPK14 | |
| SCHEMBL4276835 | 0.71 | ESR1 (0.41) | ESR1ESR2CYP19A1NPSR1MAOA | |
| SCHEMBL694176 | 0.71 | DRD2 (0.43) | MEN1ALDH1A1KMT2AKDM4EMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421848-A1 | AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS | Janssen Pharmaceutica N.V. (BE) | 2012-02-29 | — | — | EP | claimed |
| WO-2010124119-A1 | AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-28 | — | — | WO | claimed |
| EP-2421848-A1 | AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS | Janssen Pharmaceutica N.V. (BE) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010124119-A1 | AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-28 | — | — | WO | disclosed |