Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | UNG | P13051 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10893340 | 1.00 | ALDH1A1 (0.47) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL102841 | 0.84 | ALDH1A1 (0.52) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL16464006 | 0.84 | KDM4E (0.42) | ALDH1A1UNGPTGS2RAB9AKDM4E | |
| SCHEMBL15650835 | 0.82 | TDP1 (0.43) | ALDH1A1PTGS2RAB9AKDM4ECYP2A6 | |
| SCHEMBL17402635 | 0.82 | MCL1 (0.44) | ALDH1A1PTPN1PTPN2PTPN6PTGS2 | |
| SCHEMBL12763630 | 0.81 | MEN1 (0.49) | ALDH1A1PTGS2RAB9ACYP2A6NPC1 | |
| SCHEMBL4613992 | 0.81 | ALDH1A1 (0.52) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL30589393 | 0.81 | ALDH1A1 (0.52) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL11533704 | 0.79 | CYP2A6 (0.38) | ALDH1A1PTGS2RAB9AKDM4ECYP2A6 | |
| SCHEMBL3509685 | 0.79 | ALDH1A1 (0.55) | ALDH1A1PTGS2RAB9AKDM4ECYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024107783-A2 | NOVEL MACROCYCLIC CHALCONE-AMIDE DERIVED ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2024-05-23 | — | — | WO | disclosed |