Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28985169 | 1.00 | S1PR2 (0.38) | S1PR2S1PR4S1PR3HPGDALDH1A1 | |
| SCHEMBL30475167 | 1.00 | S1PR2 (0.38) | S1PR2S1PR4S1PR3HPGDALDH1A1 | |
| SCHEMBL30475181 | 0.85 | GRM5 (0.45) | HPGDALDH1A1KDM4EGRM5HTR2A | |
| SCHEMBL30475177 | 0.83 | GRM5 (0.36) | HPGDALDH1A1KDM4EGRM5HDAC6 | |
| SCHEMBL28985164 | 0.83 | GRM5 (0.36) | HPGDALDH1A1KDM4EGRM5HDAC6 | |
| SCHEMBL28985166 | 0.83 | GRM5 (0.36) | HPGDALDH1A1KDM4EGRM5HDAC6 | |
| SCHEMBL30475169 | 0.79 | TBXAS1 (0.38) | GRM5HTR2A | |
| SCHEMBL30475171 | 0.79 | RELA (0.37) | HPGDALDH1A1KDM4EGRM5HDAC6 | |
| SCHEMBL28985306 | 0.78 | SLC6A2 (0.44) | KDM4EHTR2ACYP1A2NPC1RAB9A | |
| SCHEMBL28985305 | 0.78 | SLC6A2 (0.44) | KDM4EHTR2ACYP1A2NPC1RAB9A |
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 |