Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28985179 | 1.00 | LCK (0.49) | LCKMAOBMAOACCNB2CDK1 | |
| SCHEMBL28985187 | 0.84 | TRPA1 (0.44) | MAOBALDH1A1KDM4ECYP1A1CYP1A2 | |
| SCHEMBL28985184 | 0.84 | TRPA1 (0.44) | MAOBALDH1A1KDM4ECYP1A1CYP1A2 | |
| SCHEMBL28985163 | 0.76 | GRM4 (0.41) | ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL28985162 | 0.76 | GRM4 (0.41) | ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL21047055 | 0.76 | LNPEP (0.48) | MAOBMAOAALOX5HRH3GABRA5 | |
| SCHEMBL19867909 | 0.76 | LNPEP (0.48) | MAOBMAOAALOX5HRH3GABRA5 | |
| SCHEMBL28985307 | 0.73 | RELA (0.44) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL28985305 | 0.73 | SLC6A2 (0.44) | KDM4EPKMCYP1A2CYP3A4NPC1 | |
| SCHEMBL28985306 | 0.73 | SLC6A2 (0.44) | KDM4EPKMCYP1A2CYP3A4NPC1 |
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 |