Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ACP3 | P15309 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| SCHEMBL1754864 | 0.92 | KDM4E (0.42) | KDM4EKEAP1NFE2L2ESR1ACP3 | |
| SCHEMBL2055489 | 0.89 | KDM4E (0.40) | KDM4EKEAP1NFE2L2S1PR1ACLY | |
| SCHEMBL1110834 | 0.82 | KEAP1 (0.57) | KEAP1NFE2L2 | |
| SCHEMBL2055478 | 0.81 | KDM4E (0.44) | KDM4EKEAP1NFE2L2ESR1ACP3 | |
| SCHEMBL1754451 | 0.81 | KDM4E (0.44) | KDM4EKEAP1NFE2L2S1PR1ACLY | |
| SCHEMBL3281740 | 0.79 | PSEN1 (0.35) | ACLYACP3PSEN1PSEN2APH1B | |
| SCHEMBL2055374 | 0.79 | KDM4E (0.37) | KDM4EKEAP1NFE2L2S1PR1ACLY | |
| SCHEMBL1754851 | 0.77 | MEN1 (0.39) | KEAP1NFE2L2S1PR1MEN1ALDH1A1 | |
| SCHEMBL1754866 | 0.77 | HTT (0.39) | KEAP1NFE2L2S1PR1ACLYESR1 | |
| SCHEMBL2098835 | 0.77 | ACP3 (0.34) | KDM4EACLYACP3MEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200987-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009030715-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-12 | — | — | WO | disclosed |