Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.35 |
| ▸ | RELA | Q04206 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985164 | 1.00 | GRM5 (0.36) | GRM5NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL30475177 | 1.00 | GRM5 (0.36) | GRM5NPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL28985195 | 0.88 | KIF11 (0.42) | NPC1RAB9ACA1 | |
| SCHEMBL30475181 | 0.84 | GRM5 (0.45) | GRM5NPC1RELASMN1; SMN2HTR2A | |
| SCHEMBL28985169 | 0.83 | S1PR2 (0.38) | GRM5NPC1RAB9ASMN1; SMN2HTR2A | |
| SCHEMBL30475167 | 0.83 | S1PR2 (0.38) | GRM5NPC1RAB9ASMN1; SMN2HTR2A | |
| SCHEMBL28985165 | 0.83 | S1PR2 (0.38) | GRM5NPC1RAB9ASMN1; SMN2HTR2A | |
| SCHEMBL28985200 | 0.81 | SLC6A2 (0.40) | NPC1RAB9ACA1MGLLALDH1A1 | |
| SCHEMBL28985199 | 0.81 | SLC6A2 (0.40) | NPC1RAB9ACA1MGLLALDH1A1 | |
| SCHEMBL28985305 | 0.77 | SLC6A2 (0.44) | NPC1RAB9AHTR2AKDM4E |
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 |