Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 8/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 8/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28208205 | 0.80 | MEN1 (0.47) | CHRNB2CHRNA4KDM1AMKNK1MKNK2 | |
| Formic Acid SCHEMBL27671743 | 0.73 | MKNK1 (0.47) | MKNK1MKNK2 | |
| Formic Acid SCHEMBL30444860 | 0.73 | MKNK1 (0.47) | MKNK1MKNK2 | |
| SCHEMBL19628 | 0.72 | — | — | |
| SCHEMBL29455057 | 0.72 | — | — | |
| SCHEMBL8482013 | 0.71 | CHRNB2 (0.43) | CHRNB2CHRNA4KDM1AGABRA1GABRG2 | |
| Formaldehyde SCHEMBL27300961 | 0.70 | MEN1 (0.52) | MKNK1MKNK2CHRNA7 | |
| Bromide SCHEMBL30665091 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3365191 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2867683 | 0.70 | — | — |
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-107417767-A | Dipeptide compound, its preparation method and the application of piperidines or piperazine structure | 杭州市西溪医院 | 2017-12-01 | — | — | CN | disclosed |