Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL28985162 | 0.81 | GRM4 (0.41) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL28985163 | 0.81 | GRM4 (0.41) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL30475173 | 0.78 | RELA (0.49) | RELAKDM4EALDH1A1S100A4MAPT | |
| SCHEMBL28985187 | 0.77 | TRPA1 (0.44) | RELAKDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL28985184 | 0.77 | TRPA1 (0.44) | RELAKDM4EALDH1A1MAPTKMT2A | |
| SCHEMBL28985306 | 0.77 | SLC6A2 (0.44) | KDM4EMAPTNPC1RAB9AKMT2A | |
| SCHEMBL28985305 | 0.77 | SLC6A2 (0.44) | KDM4EMAPTNPC1RAB9AKMT2A | |
| SCHEMBL28985179 | 0.73 | LCK (0.49) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28985175 | 0.73 | LCK (0.49) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28985190 | 0.73 | HRH4 (0.40) | ALDH1A1MAPTNPC1RAB9AKMT2A |
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 |