Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | HMGCR | P04035 | 3/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9871007 | 1.00 | TACR1 (0.38) | TACR1HMGCRMMP12CTSACASP1 | |
| SCHEMBL9871610 | 0.88 | ALDH1A1 (0.39) | MEN1ALDH1A1KMT2AGPR119HPGD | |
| SCHEMBL9871601 | 0.88 | ALDH1A1 (0.39) | MEN1ALDH1A1KMT2AGPR119HPGD | |
| SCHEMBL10466197 | 0.83 | HMGCR (0.46) | HMGCRESR1 | |
| SCHEMBL9870912 | 0.83 | HMGCR (0.46) | HMGCRESR1 | |
| SCHEMBL10466201 | 0.83 | HMGCR (0.46) | HMGCRESR1 | |
| SCHEMBL9871615 | 0.81 | HMGCR (0.35) | TACR1HMGCRKMT2AGPR119NPC1 | |
| SCHEMBL8953313 | 0.79 | HMGCR (0.49) | HMGCR | |
| SCHEMBL8953297 | 0.79 | HMGCR (0.49) | HMGCR | |
| SCHEMBL9870230 | 0.77 | HMGCR (0.43) | HMGCR |
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 |