Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25860910 | 0.88 | NCF1 (0.33) | NCF1KDM4EMAPTMEN1ALDH1A1 | |
| SCHEMBL25858870 | 0.85 | ALDH1A1 (0.38) | CYP1A1CYP1A2CYP1B1KDM4EMAPT | |
| SCHEMBL31314270 | 0.80 | ALOX5AP (0.41) | NCF1MAPTMEN1ALDH1A1HTT | |
| SCHEMBL25857192 | 0.80 | DHFR (0.37) | CYP1A2NCF1KDM4EMAPTALDH1A1 | |
| SCHEMBL25859018 | 0.79 | CACNA2D1 (0.34) | KMT2ACACNA2D1 | |
| SCHEMBL25856433 | 0.78 | KDM4E (0.41) | CYP1A1CYP1A2CYP1B1KDM4EMEN1 | |
| SCHEMBL25857355 | 0.76 | PIP4K2A (0.30) | — | |
| SCHEMBL25859817 | 0.76 | — | — | |
| SCHEMBL25861428 | 0.76 | ALDH1A1 (0.37) | KDM4EMAPTALDH1A1HTTNPSR1 | |
| SCHEMBL30517778 | 0.75 | GRM5 (0.35) | KDM4EMAPTALDH1A1 |
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-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |