Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.36 |
| ▸ | EDNRA | P25101 | 3/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2055482 | 0.89 | HTT (0.40) | HTTCYP1A2CYP2C19HIF1ATDP1 | |
| SCHEMBL1754867 | 0.80 | ALDH1A1 (0.37) | HTTCYP1A2CYP2C19HIF1ATDP1 | |
| SCHEMBL2055367 | 0.80 | HTT (0.40) | HTTCYP1A2CYP2C19HIF1ATDP1 | |
| SCHEMBL1754851 | 0.79 | MEN1 (0.39) | HTTL3MBTL1ALDH1A1MAPTMEN1 | |
| SCHEMBL2097955 | 0.78 | HTT (0.40) | HTTCYP1A2CYP2C19HIF1ATDP1 | |
| SCHEMBL1754853 | 0.77 | MEN1 (0.35) | HTTCYP1A2ALDH1A1MAPTMEN1 | |
| SCHEMBL3281102 | 0.77 | KDM4E (0.39) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3278248 | 0.74 | MEN1 (0.46) | HTTCYP2C19TDP1L3MBTL1MEN1 | |
| SCHEMBL13905607 | 0.73 | KEAP1 (0.40) | KEAP1NFE2L2ACLYS1PR1PSEN1 | |
| SCHEMBL1753949 | 0.72 | KEAP1 (0.42) | MAPTLMNAKEAP1NFE2L2S1PR1 |
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 | claimed |
| 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 | claimed |