Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23215814 | 1.00 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL6642777 | 0.89 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL15626861 | 0.84 | STS (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL951309 | 0.84 | STS (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL19762336 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL9038044 | 0.84 | STS (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19HTT | |
| SCHEMBL24131982 | 0.83 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL23816359 | 0.83 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL5766528 | 0.83 | NPC1 (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL205217 | 0.83 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1 |
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-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |