Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | CASP3 | P42574 | 2/20 | 0.60 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.60 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | CETP | P11597 | 11/20 | 0.55 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 3/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.52 |
| ▸ | CEPT1 | Q9Y6K0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13067482 | 0.93 | HDAC6 (0.56) | SMN1; SMN2NPC1RAB9AKDM4ECASP3 | |
| SCHEMBL2137065 | 0.88 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AKDM4ECASP3 | |
| SCHEMBL31165942 | 0.86 | PIK3CB (0.61) | KDM4EHDAC6CETPPTPN2PTPN1 | |
| SCHEMBL11376267 | 0.86 | HDAC6 (0.54) | SMN1; SMN2NPC1RAB9AKDM4EHPGD | |
| SCHEMBL1734880 | 0.85 | NPC1 (0.69) | SMN1; SMN2NPC1RAB9AKDM4ECASP3 | |
| SCHEMBL1733840 | 0.85 | HDAC6 (0.60) | SMN1; SMN2NPC1RAB9AKDM4EHPGD | |
| SCHEMBL11379182 | 0.84 | CETP (0.47) | SMN1; SMN2NPC1RAB9AKDM4ECASP3 | |
| SCHEMBL16151090 | 0.83 | HDAC6 (0.68) | HDAC6CETPPTPN2PTPN1PTPN5 | |
| SCHEMBL11449603 | 0.83 | HDAC6 (0.55) | SMN1; SMN2NPC1RAB9AKDM4ECASP3 | |
| SCHEMBL11642024 | 0.81 | HDAC6 (0.56) | HDAC6CETPPTPN2PTPN1PTPN5 |
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-109180590-A | A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free | 福建医科大学 | 2019-01-11 | — | — | CN | disclosed |