Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | HBB | P68871 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL29067201 | 0.88 | HPGD (0.55) | KMT2AMEN1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL29642903 | 0.86 | TAAR1 (0.60) | ALDH1A1MAPTTAAR1SLC6A4SLC6A2 | |
| SCHEMBL50478 | 0.86 | TAAR1 (0.60) | ALDH1A1MAPTTAAR1SLC6A4SLC6A2 | |
| Methane SCHEMBL27598295 | 0.84 | TAAR1 (0.58) | ALDH1A1MAPTTAAR1SLC6A4SLC6A2 | |
| Methylene Chloride SCHEMBL29186228 | 0.84 | TAAR1 (0.58) | ALDH1A1MAPTTAAR1SLC6A4SLC6A2 | |
| Carbon Tetrachloride SCHEMBL27970901 | 0.81 | TAAR1 (0.55) | ALDH1A1MAPTTAAR1SLC6A4SLC6A2 | |
| SCHEMBL9712563 | 0.80 | KMT2A (0.53) | KMT2AMEN1ALDH1A1SMN1; SMN2HPGD | |
| Benzoyl Chloride SCHEMBL9712619 | 0.79 | CTNNB1 (0.54) | KMT2AMEN1ALDH1A1HPGDKDM4E | |
| SCHEMBL8993266 | 0.76 | TAAR1 (0.53) | MAPTTAAR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1465771 | 0.75 | CYP2D6 (0.54) | ALDH1A1HPGDMAPTKDM4EUSP2 |
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-103936709-B | Synthetic method of piperonal | 李东风 | 2017-01-18 | — | — | CN | disclosed |
| CN-103936709-A | Synthetic method of piperonal | LI DONGFENG | 2014-07-23 | — | — | CN | disclosed |