Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | FSHR | P23945 | 6/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410566 | 0.87 | SLC6A4 (0.33) | TSHRFSHRGRIN2B | |
| SCHEMBL16410823 | 0.80 | AMPD2 (0.34) | GRIN2BSMN1; SMN2CYP2C9CYP2C19AMPD2 | |
| SCHEMBL16410869 | 0.75 | GAA (0.33) | SMN1; SMN2 | |
| SCHEMBL16410844 | 0.75 | — | — | |
| SCHEMBL16410631 | 0.74 | ACAT2 (0.36) | — | |
| SCHEMBL16410625 | 0.74 | GRIN2B (0.34) | GRIN2B | |
| SCHEMBL16410813 | 0.74 | AMPD2 (0.33) | GRIN2BCYP3A4CYP2C9CYP2C19AMPD2 | |
| SCHEMBL16410760 | 0.70 | — | — | |
| SCHEMBL16410660 | 0.67 | TAAR1 (0.32) | AMPD2 | |
| SCHEMBL16410816 | 0.63 | ACAT2 (0.45) | GRIN2BCYP3A4CYP2C9CYP2C19 |
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-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |