Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10816379 | 0.83 | NLRP3 (0.60) | NLRP3ALDH1A1MEN1POLBGAA | |
| SCHEMBL11140939 | 0.80 | NLRP3 (0.47) | NLRP3ALDH1A1TSHRTP53CLCN2 | |
| SCHEMBL11141635 | 0.79 | NLRP3 (0.47) | NLRP3ALDH1A1TSHRTP53CLCN2 | |
| SCHEMBL11674234 | 0.77 | TDP1 (0.41) | NLRP3ALDH1A1TSHRTP53CLCN2 | |
| SCHEMBL11147347 | 0.77 | NLRP3 (0.43) | NLRP3NPC1ALDH1A1TSHRTP53 | |
| SCHEMBL11139213 | 0.76 | NLRP3 (0.63) | NLRP3ALDH1A1ALOX15MEN1POLB | |
| SCHEMBL11341290 | 0.75 | NPC1 (0.41) | NLRP3NPC1ALDH1A1TSHRCLCN2 | |
| SCHEMBL11139934 | 0.75 | TSHR (0.48) | NLRP3ALDH1A1TSHRTP53POLB | |
| SCHEMBL11341292 | 0.75 | NPC1 (0.41) | NLRP3NPC1ALDH1A1TSHRCLCN2 | |
| SCHEMBL11136305 | 0.75 | NLRP3 (0.43) | NLRP3ALDH1A1TSHRTP53CLCN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4402734-A | N-(HALOALKYL)-N-(CARBOXYALKYL)ANILINE DERIVATIVE | SUMITOMO CHEMICAL CO., LTD. (JP) | 1983-09-06 | — | — | US | disclosed |