Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.38 |
| ▸ | WNT3A | P56704 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297486 | 0.82 | ALDH1A1 (0.43) | PDK2L3MBTL1MAPTSMN1; SMN2HSP90AB1 | |
| SCHEMBL29410857 | 0.81 | CTNNB1 (0.57) | PDK2CTNNB1WNT3A | |
| SCHEMBL1950901 | 0.81 | CTNNB1 (0.57) | PDK2CTNNB1WNT3A | |
| SCHEMBL28523326 | 0.81 | PDK2 (0.41) | PDK2L3MBTL1MAPTSMN1; SMN2HSP90AB1 | |
| Hydrochloric Acid SCHEMBL5819908 | 0.79 | CTNNB1 (0.55) | PDK2CTNNB1WNT3A | |
| SCHEMBL13990159 | 0.79 | L3MBTL1 (0.52) | PDK2L3MBTL1MAPTSMN1; SMN2HSP90AB1 | |
| SCHEMBL2837238 | 0.78 | ERCC5 (0.58) | MAPTSMN1; SMN2CES2CES1KMT2A | |
| SCHEMBL3904036 | 0.77 | CES2 (0.44) | L3MBTL1MAPTSMN1; SMN2TSHRCES2 | |
| SCHEMBL7280670 | 0.77 | TSHR (0.54) | L3MBTL1MAPTHSP90AB1TSHRKMT2A | |
| Water SCHEMBL7994046 | 0.76 | ERCC5 (0.56) | MAPTSMN1; SMN2CES2CES1KMT2A |
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-1049884-C | Synthesis process of methylbenzyl acetone trihalide | PUDONG PHARMACEUTICAL FACTORY (CN) | 2000-03-01 | — | — | CN | disclosed |
| CN-1174187-A | Synthesis process of methylbenzyl acetone trihalide | PUDONG PHARMACEUTICAL FACTORY (CN) | 1998-02-25 | — | — | CN | disclosed |