Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27803271 | 1.00 | NLRP3 (0.37) | NLRP3CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL27803270 | 1.00 | NLRP3 (0.37) | NLRP3CYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL13316352 | 0.89 | LMNA (0.36) | NLRP3CYP3A4ALDH1A1LMNAHSD17B10 | |
| SCHEMBL27823942 | 0.88 | NLRP3 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL5115899 | 0.88 | NLRP3 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL5115903 | 0.88 | NLRP3 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL27847135 | 0.85 | ALDH1A1 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL27847136 | 0.85 | ALDH1A1 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL27847133 | 0.85 | ALDH1A1 (0.39) | NLRP3ALDH1A1LMNAHSD17B10PDK1 | |
| SCHEMBL5696892 | 0.83 | ALDH1A1 (0.43) | NLRP3ALDH1A1LMNAHSD17B10PDK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102159557-A | Piperazine d3 and 5-ht2a receptor modulators | HOFFMANN LA ROCHE | 2011-08-17 | — | — | CN | disclosed |
| CN-101981012-A | Novel tetrahydroisoquinoline derivative | DAIICHI SANKYO CO LTD | 2011-02-23 | — | — | CN | disclosed |