Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25260757 | 0.87 | ALDH1A1 (0.37) | DHFRALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL25856837 | 0.85 | ALDH1A1 (0.38) | ALDH1A1MAPTSMN1; SMN2NPC1HTT | |
| SCHEMBL25860910 | 0.81 | NCF1 (0.33) | ALDH1A1MAPTHTTNCF1KDM4E | |
| SCHEMBL25856705 | 0.81 | DHFR (0.36) | DHFRALDH1A1FDPSKDM4ETACR2 | |
| SCHEMBL31314242 | 0.81 | DHFR (0.36) | DHFRALDH1A1FDPSKDM4ETACR2 | |
| SCHEMBL25859255 | 0.80 | CYP1A1 (0.33) | ALDH1A1MAPTHTTCYP1A2NCF1 | |
| SCHEMBL31314270 | 0.80 | ALOX5AP (0.41) | ALDH1A1MAPTHTTATMHPGD | |
| SCHEMBL25858440 | 0.80 | ALDH1A1 (0.35) | DHFRALDH1A1FDPSKDM4ETACR2 | |
| SCHEMBL31314084 | 0.80 | ALDH1A1 (0.39) | DHFRALDH1A1MAPTHPGDFDPS | |
| SCHEMBL25859343 | 0.80 | ALDH1A1 (0.39) | DHFRALDH1A1MAPTHPGDFDPS |
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 |