Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1D | Q01668 | 7/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10346121 | 0.83 | KDM4E (0.58) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL5241525 | 0.76 | CACNA1D (0.46) | CACNA1DADORA3GAAALDH1A1LMNA | |
| SCHEMBL6299988 | 0.75 | KDM4E (0.51) | ADORA3KDM4EGAAALDH1A1LMNA | |
| SCHEMBL3027412 | 0.73 | ADORA3 (0.89) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL9027650 | 0.71 | GAA (0.42) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL29173863 | 0.70 | ADORA3 (0.82) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL11799255 | 0.69 | CACNA1D (0.60) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL11669396 | 0.69 | ADORA3 (0.68) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL10684386 | 0.69 | ADORA3 (0.75) | CACNA1DADORA3DHFRKDM4EGAA | |
| SCHEMBL20610477 | 0.69 | ADORA3 (1.00) | CACNA1DADORA3KDM4EGAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| EP-0306929-A2 | 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |