Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.43 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12948815 | 0.85 | PTGDR2 (0.42) | PTGDR2SCN8ACD274PDCD1CYP1A2 | |
| SCHEMBL987174 | 0.78 | KCNA5 (0.37) | PTGDR2ALDH1A1LMNA | |
| SCHEMBL990554 | 0.76 | PTGDR2 (0.53) | PTGDR2CYP2C19PTPN1KDM4EEGLN1 | |
| SCHEMBL988484 | 0.76 | PTGDR2 (0.43) | PTGDR2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12948816 | 0.75 | PDPK1 (0.38) | PTGDR2SCN8AKDM4EGAAALDH1A1 | |
| SCHEMBL2771530 | 0.72 | PTGDR2 (0.40) | PTGDR2PTPN1VNN1ACLYAR | |
| SCHEMBL14885448 | 0.70 | PTGDR2 (0.42) | PTGDR2PTPN1VNN1ALDH1A1LMNA | |
| SCHEMBL988942 | 0.70 | PTGDR2 (0.42) | PTGDR2PTPN1KDM4EGAAALDH1A1 | |
| SCHEMBL406503 | 0.69 | SCN8A (0.51) | SCN8ACD274PDCD1VNN1LMNA | |
| SCHEMBL12948882 | 0.69 | PTGDR2 (0.43) | PTGDR2CYP2C19PTPN1CYP2C9ACLY |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011002814-A2 | BIARYL OXYACETIC ACID COMPOUNDS | LIGAND PHARMACEUTICALS INC. (US) | 2011-01-06 | — | — | WO | disclosed |