Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2204411 | 0.88 | NOTUM (0.43) | CES2MGLLTSHRMAPK1 | |
| SCHEMBL8323534 | 0.87 | CES2 (0.43) | CES2TSHRMAPK1TDP1 | |
| SCHEMBL2013705 | 0.84 | RXRA (0.33) | CES2TSHRMAPK1 | |
| SCHEMBL1370057 | 0.82 | KIF11 (0.47) | CES2TSHRMAPK1KDM4EMEN1 | |
| SCHEMBL1205892 | 0.82 | TAAR1 (0.44) | CYP11B2TAAR1ESR2CES2HSD17B1 | |
| SCHEMBL5897973 | 0.82 | PTPN5 (0.41) | MAT2ACES2KDM4EMEN1KMT2A | |
| SCHEMBL1690372 | 0.81 | SMN1; SMN2 (0.34) | CES2MAPK1KDM4E | |
| SCHEMBL2012652 | 0.79 | GABRP (0.43) | TAAR1ESR2NT5EKDM4EMEN1 | |
| SCHEMBL2015248 | 0.78 | TRPA1 (0.43) | CYP11B2HSD17B1HSD17B2TRPA1 | |
| SCHEMBL7685104 | 0.78 | GPR3 (0.39) | PTPN1TAAR1ESR2HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |