Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | KIF20A | O95235 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30492713 | 1.00 | TRPA1 (0.51) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30006460 | 0.90 | TRPA1 (0.50) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24667157 | 0.90 | TRPA1 (0.50) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30006100 | 0.89 | CYP1A2 (0.41) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29165213 | 0.89 | CYP1A2 (0.41) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24664824 | 0.89 | CYP1A2 (0.41) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24667194 | 0.86 | MAPT (0.50) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30006315 | 0.86 | MAPT (0.50) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29018370 | 0.84 | TRPA1 (0.44) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30492658 | 0.84 | TRPA1 (0.44) | TRPA1SMN1; SMN2CYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120416-A | Small molecule compound with substituted phenyl spiro [ indoline-3, 3' -pyrrolidine ] structure | 中国科学院上海药物研究所 | 2023-11-24 | — | — | CN | disclosed |
| 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 |
| CN-115215872-A | Small molecule compound with substituted phenyl spiro [ indoline-3, 3' -pyrrolidine ] structure | 中国科学院上海药物研究所 | 2022-10-21 | — | — | CN | disclosed |