Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KIF20A | O95235 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30492658 | 1.00 | TRPA1 (0.44) | TRPA1ABCG2RELANFE2L2MEN1 | |
| SCHEMBL29018371 | 0.84 | TRPA1 (0.51) | TRPA1NPC1MAPTTP53ALDH1A1 | |
| SCHEMBL30492713 | 0.84 | TRPA1 (0.51) | TRPA1NPC1MAPTTP53ALDH1A1 | |
| SCHEMBL621597 | 0.82 | MEN1 (0.52) | MEN1NPC1KMT2AMAPTALDH1A1 | |
| SCHEMBL620962 | 0.82 | MEN1 (0.52) | MEN1NPC1KMT2AMAPTALDH1A1 | |
| SCHEMBL24667157 | 0.78 | TRPA1 (0.50) | TRPA1NPC1MAPTTP53ALDH1A1 | |
| SCHEMBL30006460 | 0.78 | TRPA1 (0.50) | TRPA1NPC1MAPTTP53ALDH1A1 | |
| SCHEMBL12486592 | 0.77 | TRPA1 (0.51) | TRPA1ABCG2NFE2L2MEN1KMT2A | |
| SCHEMBL12486594 | 0.77 | TRPA1 (0.51) | TRPA1ABCG2NFE2L2MEN1KMT2A | |
| SCHEMBL24667194 | 0.74 | MAPT (0.50) | TRPA1NPC1MAPTTP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116283701-A | Compounds having the structure 4- (substituted aminomethyl) -5-neopentyl-N-substituted pyrrolidine-2-carboxamide | 中国科学院上海药物研究所 | 2023-06-23 | — | — | CN | disclosed |