Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | UBE2N | P61088 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 4/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963607 | 0.91 | PKM (0.45) | PKMHTTKDM4EUBE2NHTR6 | |
| SCHEMBL28937173 | 0.85 | LMNA (0.44) | PKMLMNAKDM4EUBE2NL3MBTL1 | |
| SCHEMBL28937181 | 0.85 | L3MBTL1 (0.50) | PKMLMNAHTTKDM4EUBE2N | |
| SCHEMBL28937176 | 0.80 | L3MBTL1 (0.42) | LMNAHTTKDM4EUBE2NHTR6 | |
| SCHEMBL28937178 | 0.73 | RAPGEF4 (0.47) | LMNAHTTKDM4EUBE2NHTR6 | |
| SCHEMBL6828588 | 0.71 | CA2 (0.48) | CA1CA2MMP1MMP2MMP3 | |
| SCHEMBL28937175 | 0.71 | CD4 (0.43) | LMNAHTTKDM4EUBE2NHTR6 | |
| SCHEMBL29800603 | 0.68 | CA1 (0.47) | PKMBCHEACHELMNAHTT | |
| SCHEMBL5776529 | 0.67 | RAPGEF4 (0.56) | PKMHTTKDM4EUBE2NL3MBTL1 | |
| SCHEMBL1132573 | 0.66 | KIF11 (0.45) | BCHEACHELMNAKDM4EGRIA4 |
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-109912487-B | Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole | 山东理工大学 | 2023-01-10 | — | — | CN | disclosed |