Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21516024 | 0.80 | DDB1 (0.48) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL31444389 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL20851551 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL28485125 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL23178137 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL24694986 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL21516103 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL30582955 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL29517558 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 | |
| SCHEMBL19464253 | 0.76 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNA7MEN1CYP2D6 |
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-107759620-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives, methods of use, and uses thereof | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |