Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29116460 | 0.91 | CYSLTR2 (0.45) | CYSLTR2CYSLTR1CA12ALDH1A1L3MBTL1 | |
| SCHEMBL4575497 | 0.82 | CYP1A2 (0.56) | CYSLTR2CYSLTR1ALDH1A1L3MBTL1CYP1A2 | |
| SCHEMBL243907 | 0.82 | ALDH1A1 (0.43) | CYSLTR2CYSLTR1CA12ALDH1A1L3MBTL1 | |
| SCHEMBL16268231 | 0.81 | PPARG (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A | |
| SCHEMBL1123448 | 0.81 | PPARG (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A | |
| SCHEMBL24865933 | 0.81 | PPARG (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A | |
| SCHEMBL30867123 | 0.81 | PPARG (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A | |
| SCHEMBL16268111 | 0.81 | PPARG (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A | |
| SCHEMBL8722419 | 0.80 | ALDH1A1 (0.43) | CYSLTR2CYSLTR1CA12CA1CA2 | |
| SCHEMBL1123533 | 0.79 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1CYP1A2TSHRKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105237443-A | 4-fatty sulfamide-2 nitro benzyl bromide compound and synthetic method thereof | UNIV DALIAN TECH | 2016-01-13 | — | — | CN | disclosed |