Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GCK | P35557 | 1/20 | 0.42 |
| ▸ | GCKR | Q14397 | 1/20 | 0.42 |
| ▸ | TRPC6 | Q9Y210 | 2/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1992377 | 0.85 | CHRNB2 (0.64) | CHRNB2CHRNA4PIM1PIM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL21045786 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4PIM1PIM3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4935425 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4PIM1PIM3ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27722336 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4AOC3PIM1PIM3 | |
| SCHEMBL5658694 | 0.80 | CHRNB2 (0.68) | CHRNB2CHRNA4PIM1PIM3 | |
| Pivalate SCHEMBL30459872 | 0.77 | BPTF (0.48) | ALDH1A1USP2HSD17B10KDM4EKCNH2 | |
| SCHEMBL20740560 | 0.76 | HTR2C (0.46) | GCKGCKRTRPC6 | |
| SCHEMBL25143036 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNA4AOC3PIM1PIM3 | |
| SCHEMBL27722335 | 0.75 | TRPC6 (0.44) | AOC3TSHRHDAC3GCKGCKR | |
| SCHEMBL29600699 | 0.74 | TRPC6 (0.52) | AOC3ALDH1A1USP2TSHRGCK |
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-113121424-A | Continuous reaction for preparing piperazine pyridine compound | 浙江瑞博制药有限公司 | 2021-07-16 | — | — | CN | disclosed |