Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985162 | 1.00 | GRM4 (0.41) | GRM4NPC1RAB9AHTR2AKDM4E | |
| SCHEMBL28985307 | 0.81 | RELA (0.44) | GRM4NPC1RAB9AHTR2AKDM4E | |
| SCHEMBL28985187 | 0.81 | TRPA1 (0.44) | KDM4EALDH1A1HPGDCCR1CCR5 | |
| SCHEMBL28985184 | 0.81 | TRPA1 (0.44) | KDM4EALDH1A1HPGDCCR1CCR5 | |
| SCHEMBL28985305 | 0.80 | SLC6A2 (0.44) | NPC1RAB9AHTR2AKDM4EMEN1 | |
| SCHEMBL28985306 | 0.80 | SLC6A2 (0.44) | NPC1RAB9AHTR2AKDM4EMEN1 | |
| SCHEMBL28985300 | 0.79 | NPC1 (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL28985301 | 0.79 | NPC1 (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL30475172 | 0.79 | NPC1 (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL28985171 | 0.76 | CYP3A4 (0.39) | NPC1RAB9AKDM4EALDH1A1HPGD |
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-115974927-A | Diamine-derived phosphine chiral phosphine oxide ligand-promoted nickel-catalyzed asymmetric alkylation of pyridine C2-H bond | 南开大学 | 2023-04-18 | — | — | CN | disclosed |