Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | ALB | P02768 | 1/20 | 0.31 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| SCHEMBL2053522 | 0.86 | ACHE (0.36) | ALDH1A1MEN1HPGDKMT2ATHRB | |
| SCHEMBL433493 | 0.85 | ALDH1A1 (0.37) | ALDH1A1MEN1HPGDKMT2AGPR3 | |
| SCHEMBL2013259 | 0.80 | GPR3 (0.39) | MEN1HPGDKMT2AACHEGPR3 | |
| SCHEMBL10613996 | 0.79 | AMY1A (0.43) | ALDH1A1NFE2L2KDM4EALPL | |
| SCHEMBL434555 | 0.79 | CNR1 (0.34) | ALDH1A1MEN1HPGDKMT2AGPR3 | |
| SCHEMBL925238 | 0.79 | PIK3R1 (0.34) | ALDH1A1MEN1HPGDKMT2AGPR3 | |
| SCHEMBL2053354 | 0.76 | MPL (0.35) | ALDH1A1GPR3IDO1 | |
| SCHEMBL1491043 | 0.76 | ACHE (0.41) | ALDH1A1MEN1KMT2AACHENFE2L2 | |
| SCHEMBL13674310 | 0.74 | NFE2L2 (0.50) | ALDH1A1MEN1HPGDKMT2ATHRB | |
| SCHEMBL9650055 | 0.74 | PTGS2 (0.37) | ACHE |
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 |