Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.68 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.68 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | PLG | P00747 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | CTRC | Q99895 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6427000 | 0.89 | NR1H2 (0.60) | NR1H2NR1H3CES2BCHECES1 | |
| SCHEMBL15437828 | 0.89 | NR1H2 (0.70) | NR1H2NR1H3CES1FAAHMGLL | |
| SCHEMBL15437830 | 0.84 | CASP3 (0.59) | NR1H2NR1H3FAAHMGLLF2 | |
| SCHEMBL28080831 | 0.83 | NR1H2 (0.58) | NR1H2NR1H3ALDH1A1MEN1KMT2A | |
| SCHEMBL28080842 | 0.83 | APAF1 (0.57) | NR1H2NR1H3BCHECES1FAAH | |
| SCHEMBL6389495 | 0.82 | NR1H2 (0.60) | NR1H2NR1H3CES2BCHECES1 | |
| SCHEMBL6428843 | 0.82 | NR1H2 (0.52) | NR1H2NR1H3CES2BCHECES1 | |
| SCHEMBL28831871 | 0.80 | NR1H2 (0.52) | NR1H2NR1H3FAAHMGLLF2 | |
| SCHEMBL28080906 | 0.80 | NR1H2 (0.71) | NR1H2NR1H3CMA1MEN1KMT2A | |
| SCHEMBL6427394 | 0.80 | NR1H2 (0.51) | NR1H2NR1H3CES2BCHECES1 |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |