Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 6/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20372216 | 0.90 | PTGDR2 (0.38) | GRIN2BALDH1A1KDM4EGAAPTGDR2 | |
| SCHEMBL20372251 | 0.90 | GRIN2B (0.41) | GRIN2BPTPN11 | |
| SCHEMBL20371960 | 0.89 | PTGDR2 (0.38) | GRIN2BCYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL20372333 | 0.89 | DPP4 (0.36) | CYP11B2ALDH1A1PTPN11 | |
| SCHEMBL20372078 | 0.88 | PPARD (0.38) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20372217 | 0.86 | LMNA (0.35) | GRIN2BALDH1A1PTPN11SMN1; SMN2 | |
| SCHEMBL20372255 | 0.85 | CYP46A1 (0.37) | KMT2ACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL20372260 | 0.84 | PDE9A (0.33) | MEN1KMT2ACYP3A4ALDH1A1KCNQ2 | |
| SCHEMBL20372489 | 0.84 | KCNH2 (0.34) | GRIN2BCYP3A4ALDH1A1KCNQ2PTPN11 | |
| SCHEMBL20372093 | 0.84 | PTPN11 (0.41) | GRIN2BPTPN11SMN1; SMN2 |
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-2018127800-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2018-07-12 | — | — | WO | disclosed |