Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | USP5 | P45974 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15988633 | 0.92 | TRPA1 (0.69) | TRPA1CYP3A4NR4A2ALDH1A1CYP2C19 | |
| SCHEMBL3378692 | 0.87 | HDAC8 (0.59) | TRPA1CYP3A4NR4A2LMNATSHR | |
| SCHEMBL15988635 | 0.86 | TRPA1 (0.59) | TRPA1CYP3A4NR4A2ALDH1A1CYP2C19 | |
| SCHEMBL17393680 | 0.82 | TRPA1 (0.64) | TRPA1CYP3A4NR4A2ALDH1A1CYP2C19 | |
| SCHEMBL4995985 | 0.82 | TRPA1 (0.53) | TRPA1CYP3A4ALDH1A1CYP2C19KMT2A | |
| SCHEMBL826915 | 0.80 | TRPA1 (0.66) | TRPA1CYP3A4SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL27572037 | 0.78 | TRPA1 (0.54) | TRPA1CYP3A4ALDH1A1KMT2ARAB9A | |
| Perillaketone SCHEMBL4627614 | 0.76 | TRPA1 (1.00) | TRPA1CYP3A4ALDH1A1CYP2C19KMT2A | |
| SCHEMBL11733886 | 0.76 | TRPA1 (0.56) | TRPA1CYP3A4ALDH1A1CYP2C19KMT2A | |
| SCHEMBL31672972 | 0.75 | TRPA1 (0.73) | TRPA1CYP3A4CYP1A2LMNAUSP5 |
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-5308852-A | Cardiovascular disorders | MERCK FROSST CANADA, INC. (CA) | 1994-05-03 | — | — | US | disclosed |
| EP-0579304-A1 | Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000444-A1 | HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-01-06 | — | — | WO | disclosed |