Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 2/20 | 0.33 |
| ▸ | LDHB | P07195 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 2/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21606744 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4KDM1AKDM1BAADAT | |
| SCHEMBL30665167 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4KDM1AKDM1BAADAT | |
| SCHEMBL425268 | 0.75 | LDHA (0.43) | CHRNB2CHRNA4AADATLDHALDHB | |
| SCHEMBL31389997 | 0.75 | CHRNB2 (0.44) | CHRNB2CHRNA4KDM1AKDM1BCHRNA7 | |
| SCHEMBL428500 | 0.71 | TP53 (0.43) | CHRNB2CHRNA4KDM1AKDM1BAADAT | |
| SCHEMBL425265 | 0.70 | KDM1A (0.50) | KDM1AKDM1BTP53RECQLHTR2C | |
| SCHEMBL31389850 | 0.70 | KDM1A (0.50) | CHRNB2CHRNA4TRPV1KDM1AKDM1B | |
| SCHEMBL18625858 | 0.69 | MTNR1A (0.51) | KDM1A | |
| SCHEMBL25047082 | 0.69 | CHRNB2 (0.65) | CHRNB2CHRNA4KDM1AKDM1BCHRNA7 | |
| SCHEMBL30851861 | 0.68 | ACHE (0.40) | CHRNB2CHRNA4AADATLDHALDHB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3810572-B1 | POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | UNIV BARCELONA (ES) | 2023-11-15 | — | — | EP | disclosed |