Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29128407 | 0.88 | MEN1 (0.49) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL29128496 | 0.81 | NPC1 (0.44) | NPC1RAB9AKDM4CRXRARXRB | |
| SCHEMBL29128610 | 0.81 | HTR1A (0.42) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL29128393 | 0.77 | DAO (0.50) | RAB9AALDH1A1CYP1A2 | |
| SCHEMBL29128346 | 0.76 | DAO (0.43) | KDM4CALDH1A1LMNATSHR | |
| SCHEMBL30800030 | 0.75 | RXRB (0.37) | RXRARXRBRXRGALDH1A1KDM4E | |
| SCHEMBL29128272 | 0.74 | RAB9A (0.42) | NPC1RAB9AALDH1A1HPGDPOLB | |
| SCHEMBL30799891 | 0.74 | RAB9A (0.42) | NPC1RAB9AALDH1A1HPGDPOLB | |
| SCHEMBL29125707 | 0.72 | RAB9A (0.55) | NPC1RAB9AKDM4CRXRARXRB | |
| SCHEMBL22138645 | 0.68 | CDK4 (0.53) | NPC1RAB9ARXRARXRBRXRG |
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-117263862-A | Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof | 吉首大学 | 2023-12-22 | — | — | CN | disclosed |