Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 5/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | PDE6D | O43924 | 1/20 | 0.31 |
| ▸ | PDE6A | P16499 | 1/20 | 0.31 |
| ▸ | PDE6G | P18545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432403 | 0.87 | GPR3 (0.41) | HSD11B1CES2PDE2APDE10AGPBAR1 | |
| SCHEMBL2053324 | 0.81 | CES2 (0.38) | CES2PDE2ATSHRMAPK1TAAR1 | |
| SCHEMBL2017429 | 0.80 | CYP11B1 (0.34) | HSD11B1 | |
| SCHEMBL8907524 | 0.80 | PIK3R1 (0.33) | CES2PDE3BPDE3A | |
| SCHEMBL2053205 | 0.77 | ACHE (0.35) | HSD11B1GPR3 | |
| SCHEMBL9579904 | 0.77 | SLC9A1 (0.33) | CES2 | |
| SCHEMBL5778162 | 0.77 | HSD11B1 (0.38) | HSD11B1TSHRGPR3 | |
| SCHEMBL5323119 | 0.76 | CYP1A1 (0.39) | CES2GPR3 | |
| SCHEMBL2053354 | 0.75 | MPL (0.35) | HSD11B1PDE2AGPBAR1GPR3 | |
| SCHEMBL2052904 | 0.75 | MPL (0.35) | PDE2APDE10AGPBAR1CHRM5PDE3B |
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 |