Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1602425 | 0.75 | SLC6A2 (0.43) | CHRNA7CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5584631 | 0.74 | QDPR (0.49) | CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31481180 | 0.73 | L3MBTL1 (0.55) | L3MBTL1CHRM5CHRM3CHRM2CHRM1 | |
| SCHEMBL22342845 | 0.73 | L3MBTL1 (0.55) | L3MBTL1CHRM5CHRM3CHRM2CHRM1 | |
| SCHEMBL25973030 | 0.73 | L3MBTL1 (0.55) | L3MBTL1CHRM5CHRM3CHRM2CHRM1 | |
| SCHEMBL19580684 | 0.73 | L3MBTL1 (0.55) | L3MBTL1CHRM5CHRM3CHRM2CHRM1 | |
| SCHEMBL1602109 | 0.73 | BACE1 (0.45) | CYP2A6SLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL27529475 | 0.73 | CHRNB2 (0.48) | L3MBTL1CHRM5CHRM3CHRM2CHRM1 | |
| SCHEMBL28506500 | 0.71 | L3MBTL1 (0.49) | L3MBTL1CHRNB2CHRNA4CHRNA7SLC6A2 | |
| SCHEMBL21392368 | 0.70 | L3MBTL1 (0.48) | L3MBTL1CHRNB2CHRNA4CHRNA7CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010859-B | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-112010859-A | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-12-01 | — | — | CN | disclosed |