Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CRHBP | P24387 | 3/20 | 0.59 |
| ▸ | CRHR2 | Q13324 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.52 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.52 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520305 | 0.91 | ALDH1A1 (0.54) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL7748458 | 0.81 | ALDH1A1 (0.94) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Benzene SCHEMBL28311584 | 0.81 | ALDH1A1 (0.82) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL28182268 | 0.80 | ALDH1A1 (0.73) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL1330825 | 0.78 | — | — | |
| Nitrobenzene SCHEMBL2358164 | 0.78 | ALDH1A1 (1.00) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL2255264 | 0.78 | ALDH1A1 (1.00) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL15525745 | 0.78 | ALDH1A1 (1.00) | ALDH1A1LMNACRHBPCRHR2L3MBTL1 | |
| Nitrobenzene SCHEMBL9669095 | 0.78 | — | — | |
| Nitrobenzene SCHEMBL20411 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102010282-B | Method for preparing diaryl disulfide and diaryl diselenide under catalysis of aqueous phase | UNIV SICHUAN | 2014-04-16 | — | — | CN | disclosed |
| CN-102010282-A | Method for preparing diaryl disulfide and diaryl diselenide under catalysis of aqueous phase | UNIV SICHUAN | 2011-04-13 | — | — | CN | disclosed |