Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 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 | 0.88 | GRM5 (0.36) | CA1NPC1RAB9A | |
| SCHEMBL28985166 | 0.88 | GRM5 (0.36) | CA1NPC1RAB9A | |
| SCHEMBL30475177 | 0.88 | GRM5 (0.36) | CA1NPC1RAB9A | |
| SCHEMBL28985198 | 0.82 | ALDH1A1 (0.38) | GRIN1GRIN2B | |
| SCHEMBL28985196 | 0.82 | ALDH1A1 (0.38) | GRIN1GRIN2B | |
| SCHEMBL30475181 | 0.76 | GRM5 (0.45) | NPC1 | |
| SCHEMBL2609357 | 0.76 | KIF11 (0.47) | KIF11SCN2A | |
| SCHEMBL30475167 | 0.75 | S1PR2 (0.38) | CYP1B1NPC1RAB9A | |
| SCHEMBL28985165 | 0.75 | S1PR2 (0.38) | CYP1B1NPC1RAB9A | |
| SCHEMBL28985169 | 0.75 | S1PR2 (0.38) | CYP1B1NPC1RAB9A |
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 |