Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | KLK7 | P49862 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28736640 | 1.00 | PKM (0.51) | PKMKLK7LMNAKMT2AMEN1 | |
| SCHEMBL10694568 | 0.86 | ALDH1A1 (0.57) | PKMLMNAKMT2AMEN1TSHR | |
| SCHEMBL28736623 | 0.85 | KLK7 (0.50) | KLK7LMNAKMT2AMEN1TSHR | |
| SCHEMBL28736624 | 0.85 | KLK7 (0.50) | KLK7LMNAKMT2AMEN1TSHR | |
| SCHEMBL10694396 | 0.84 | KLK7 (0.60) | PKMKLK7KMT2AMEN1TSHR | |
| SCHEMBL27296915 | 0.83 | CYP3A4 (0.47) | PKMKLK7LMNAKMT2AMEN1 | |
| SCHEMBL10693617 | 0.81 | ASAH1 (0.50) | PKMKLK7LMNAALDH1A1L3MBTL1 | |
| SCHEMBL280062 | 0.81 | MMP8 (0.50) | LMNAKMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL28731165 | 0.81 | MMP8 (0.50) | LMNAKMT2AMEN1ALDH1A1CYP3A4 | |
| SCHEMBL10693587 | 0.81 | ALDH1A1 (0.62) | PKMLMNAKMT2AMEN1TSHR |
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-114349685-A | 3, 5-diamide-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof | 中山奕安泰医药科技有限公司 | 2022-04-15 | — | — | CN | disclosed |