Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.39 |
| ▸ | FSHR | P23945 | 6/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410774 | 0.82 | MEN1 (0.36) | TSHRFSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410776 | 0.79 | NOS3 (0.35) | TSHRFSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410780 | 0.78 | MEN1 (0.35) | TSHRFSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410639 | 0.78 | — | — | |
| SCHEMBL16410611 | 0.74 | — | — | |
| SCHEMBL16410653 | 0.73 | KMT2A (0.32) | KCNQ2KMT2A | |
| SCHEMBL16410838 | 0.71 | CYP3A4 (0.32) | TSHRFSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410701 | 0.70 | PIK3CA (0.33) | — | |
| SCHEMBL16410718 | 0.70 | PIK3CA (0.34) | CYP3A4CYP2C19 | |
| SCHEMBL16410845 | 0.68 | DHFR (0.31) | TSHRKMT2A |
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 |