Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALPG | P10696 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29289232 | 1.00 | PKM (0.52) | PKML3MBTL1GPR55HPGDALDH1A1 | |
| SCHEMBL11565045 | 0.88 | ALDH1A1 (0.44) | PKML3MBTL1GPR55HPGDALDH1A1 | |
| SCHEMBL11564974 | 0.83 | MAPT (0.54) | PKML3MBTL1GPR55HPGDALDH1A1 | |
| SCHEMBL11564525 | 0.81 | MEN1 (0.54) | PKML3MBTL1GPR55HPGDALDH1A1 | |
| SCHEMBL11564771 | 0.81 | PKM (0.58) | PKML3MBTL1GPR55HPGDALDH1A1 | |
| SCHEMBL29289213 | 0.79 | MAPT (0.55) | PKML3MBTL1HPGDALDH1A1KMT2A | |
| SCHEMBL29289216 | 0.79 | MAPT (0.55) | PKML3MBTL1HPGDALDH1A1KMT2A | |
| SCHEMBL29289228 | 0.78 | PKM (0.67) | PKML3MBTL1HPGDALDH1A1KMT2A | |
| SCHEMBL29289233 | 0.78 | PKM (0.67) | PKML3MBTL1HPGDALDH1A1KMT2A | |
| SCHEMBL8425883 | 0.78 | PKM (0.49) | PKML3MBTL1HPGDALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113528593-B | Method for preparing alpha-phenyl cinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology | 浙江工业大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-113528593-A | Method for preparing alpha-phenylcinnamonitrile derivative based on mechanical ball milling-enzyme catalytic coupling technology | 浙江工业大学 | 2021-10-22 | — | — | CN | disclosed |
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |