Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28985194 | 1.00 | NPC1 (0.44) | NPC1RAB9ALMNASMN1; SMN2GAA | |
| SCHEMBL28985305 | 0.84 | SLC6A2 (0.44) | NPC1RAB9ALMNAMAPTCYP1A2 | |
| SCHEMBL28985306 | 0.84 | SLC6A2 (0.44) | NPC1RAB9ALMNAMAPTCYP1A2 | |
| SCHEMBL28985171 | 0.83 | CYP3A4 (0.39) | NPC1RAB9ASMN1; SMN2GAAMAPT | |
| SCHEMBL28985168 | 0.83 | CYP3A4 (0.39) | NPC1RAB9ASMN1; SMN2GAAMAPT | |
| SCHEMBL28985200 | 0.82 | SLC6A2 (0.40) | NPC1RAB9ACYP1A2CYP3A4MEN1 | |
| SCHEMBL28985199 | 0.82 | SLC6A2 (0.40) | NPC1RAB9ACYP1A2CYP3A4MEN1 | |
| SCHEMBL30475173 | 0.79 | RELA (0.49) | NPC1RAB9ALMNASMN1; SMN2GAA | |
| SCHEMBL28985302 | 0.76 | PTGS1 (0.39) | NPC1RAB9AGAAMAPTCYP1A2 | |
| SCHEMBL29898471 | 0.74 | CYP1A2 (0.47) | NPC1RAB9ALMNASMN1; SMN2MAPT |
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 |