Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.75 |
| ▸ | NPC1 | O15118 | 2/20 | 0.75 |
| ▸ | RAB9A | P51151 | 2/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | MAPT | P10636 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | FAAH | O00519 | 14/20 | 0.71 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL20236529 | 0.92 | MAPT (0.71) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL28778465 | 0.90 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL13545511 | 0.83 | FAAH (1.00) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL28778469 | 0.82 | FAAH (0.77) | NPC1RAB9AKDM4EMAPTFAAH | |
| SCHEMBL29769956 | 0.82 | RAB9A (0.70) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL10282317 | 0.81 | LMNA (0.69) | SMN1; SMN2KDM4EMAPTFAAHNLRP3 | |
| SCHEMBL28273734 | 0.81 | MEN1 (0.88) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL3606265 | 0.79 | FAAH (1.00) | KDM4EMAPTFAAH | |
| SCHEMBL28778491 | 0.79 | FAAH (0.58) | SMN1; SMN2NPC1RAB9AFAAHTP53 | |
| SCHEMBL22218895 | 0.79 | FAAH (0.60) | SMN1; SMN2NPC1RAB9AKDM4EMAPT |
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-114751874-A | 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof | 江南大学 | 2022-07-15 | — | — | CN | disclosed |