Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 3/20 | 0.36 |
| ▸ | TYK2 | P29597 | 2/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29382825 | 0.98 | — | — | |
| SCHEMBL374406 | 0.98 | — | — | |
| SCHEMBL5563364 | 0.80 | CYP1A2 (0.50) | NPC1MEN1KMT2ACYP1A2CLK4 | |
| SCHEMBL39924 | 0.77 | — | — | |
| SCHEMBL31051471 | 0.77 | — | — | |
| SCHEMBL690354 | 0.77 | EGFR (0.52) | NPC1MEN1KMT2ACYP1A2CLK4 | |
| SCHEMBL30044827 | 0.74 | — | — | |
| SCHEMBL564890 | 0.74 | — | — | |
| SCHEMBL28153591 | 0.74 | MEN1 (0.40) | NPC1MEN1KMT2ACLK4 | |
| SCHEMBL2174911 | 0.74 | NPC1 (0.45) | NPC1MEN1KMT2ACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015155306-A1 | NEW TRPA1 ANTAGONISTS | ALMIRALL, S.A. (ES) | 2015-10-15 | — | — | WO | disclosed |