Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7587086 | 0.82 | KEAP1 (0.48) | SLC9A1LMNAKEAP1NFE2L2ALDH1A1 | |
| SCHEMBL24222874 | 0.81 | POLB (0.47) | SLC9A1LMNAKEAP1NFE2L2CASP1 | |
| SCHEMBL28043598 | 0.77 | NPSR1 (0.45) | KDM4EALDH1A1HSD17B10GAA | |
| SCHEMBL15651124 | 0.71 | IKBKB (0.40) | LMNACASP1ALDH1A1GAAIDO1 | |
| SCHEMBL566114 | 0.69 | CASP1 (0.47) | SLC9A1LMNAKEAP1NFE2L2CASP1 | |
| SCHEMBL29406095 | 0.69 | CASP1 (0.47) | SLC9A1LMNAKEAP1NFE2L2CASP1 | |
| SCHEMBL6222738 | 0.69 | KEAP1 (0.50) | KEAP1NFE2L2TDP1 | |
| SCHEMBL7910786 | 0.69 | BACE1 (0.39) | CASP1PLAUIDO1GRM2 | |
| SCHEMBL18340314 | 0.69 | LMNA (0.39) | LMNAPOLBALDH1A1GAA | |
| SCHEMBL21543008 | 0.69 | LMNA (0.39) | SLC9A1LMNACASP1POLBKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017133664-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT， AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017133667-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |