Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | MDM4 | O15151 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347344 | 0.93 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL28357166 | 0.88 | SMN1; SMN2 (0.49) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28357042 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28357130 | 0.83 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28357425 | 0.81 | SMN1; SMN2 (0.49) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28351029 | 0.81 | SMN1; SMN2 (0.51) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28360911 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28347714 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28350834 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2LMNAALDH1A1HTTMDM4 | |
| SCHEMBL28347342 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2LMNAALDH1A1HTTMDM4 |
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-110642782-B | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-110642782-A | (S) -2- (2-chloronicotinylamino) propyl propionate derivative and preparation method and application thereof | 浙江工业大学 | 2020-01-03 | — | — | CN | disclosed |