Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2049535 | 0.81 | HSD11B1 (0.35) | CES2TSHRMAPK1MAT2ATAAR1 | |
| SCHEMBL2432403 | 0.81 | GPR3 (0.41) | CES2TSHRMAT2APDE2AALDH1A1 | |
| SCHEMBL2050518 | 0.78 | L3MBTL1 (0.37) | PDE2AALDH1A1L3MBTL1 | |
| SCHEMBL2204411 | 0.76 | NOTUM (0.43) | CES2TSHRMAPK1MGLLIDO1 | |
| SCHEMBL2431003 | 0.76 | PTPN1 (0.39) | CES2TSHRMAPK1MAT2ATAAR1 | |
| SCHEMBL1370057 | 0.74 | KIF11 (0.47) | CES2TSHRMAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL2049079 | 0.74 | ACHE (0.39) | MAPK1ALDH1A1 | |
| SCHEMBL2015248 | 0.74 | TRPA1 (0.43) | PDE2AIDO1 | |
| SCHEMBL1690372 | 0.73 | SMN1; SMN2 (0.34) | CES2MAPK1PDE2ALMNA | |
| SCHEMBL2013705 | 0.73 | RXRA (0.33) | CES2TSHRMAPK1PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |