Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985184 | 1.00 | TRPA1 (0.44) | TRPA1CYP1A1CYP1A2CYP1B1CCR1 | |
| SCHEMBL28985179 | 0.84 | LCK (0.49) | CYP1A1CYP1A2CYP3A4KDM4ESMN1; SMN2 | |
| SCHEMBL28985175 | 0.84 | LCK (0.49) | CYP1A1CYP1A2CYP3A4KDM4ESMN1; SMN2 | |
| SCHEMBL28985162 | 0.81 | GRM4 (0.41) | CCR1CCR5CCR8KDM4EHPGD | |
| SCHEMBL28985163 | 0.81 | GRM4 (0.41) | CCR1CCR5CCR8KDM4EHPGD | |
| SCHEMBL28985307 | 0.77 | RELA (0.44) | CYP1B1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL28985306 | 0.77 | SLC6A2 (0.44) | CYP1A2CYP3A4MAPTKDM4EMEN1 | |
| SCHEMBL28985305 | 0.77 | SLC6A2 (0.44) | CYP1A2CYP3A4MAPTKDM4EMEN1 | |
| SCHEMBL29000588 | 0.74 | TRPA1 (0.55) | TRPA1CYP1A1CYP1A2CYP1B1CCR1 | |
| SCHEMBL5664369 | 0.73 | NOS3 (0.55) | CCR1CCR5CCR8NOS3NOS1 |
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 |