Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29508856 | 0.89 | CES2 (0.60) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL1171 | 0.89 | CES2 (0.60) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL27398420 | 0.87 | CES2 (0.58) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Ammonia Solution, Strong SCHEMBL28212326 | 0.87 | CES2 (0.58) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Methylene Chloride SCHEMBL7691952 | 0.83 | CES2 (0.54) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Tert-Butyl Hydroperoxide SCHEMBL27877573 | 0.82 | CES2 (0.48) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Ether SCHEMBL27526093 | 0.81 | TSHR (0.47) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Ethyl Acetate SCHEMBL27351330 | 0.80 | TSHR (0.51) | ALDH1A1LMNACES2CES1HPGD | |
| Toluene SCHEMBL27603305 | 0.79 | ALDH1A1 (0.57) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL4669070 | 0.79 | CES2 (0.48) | ALDH1A1RAB9ASMN1; SMN2L3MBTL1NPC1 |
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-109810111-A | A kind of pyrazolone miazines compound, preparation method and application | 上海医药集团股份有限公司 | 2019-05-28 | — | — | CN | disclosed |