Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410792 | 0.90 | KMT2A (0.38) | ACAT2KMT2A | |
| SCHEMBL17757207 | 0.89 | ACAT2 (0.39) | ACAT2MEN1ALDH1A1CYP2C9TSHR | |
| SCHEMBL16410785 | 0.88 | PIK3CB (0.31) | — | |
| SCHEMBL17757806 | 0.85 | ACAT2 (0.37) | ACAT2KMT2ACYP2D6CCNT1CDK9 | |
| SCHEMBL17757212 | 0.80 | ACAT2 (0.46) | ACAT2ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL17757216 | 0.80 | ACAT2 (0.35) | ACAT2ALDH1A1CCNT1CDK9 | |
| SCHEMBL17758027 | 0.80 | ACAT2 (0.47) | ACAT2KMT2ACCNT1CDK9 | |
| SCHEMBL16410858 | 0.79 | PIK3CA (0.35) | ACAT2CYP2C19CYP2D6KCNH2 | |
| SCHEMBL16410758 | 0.79 | KMT2A (0.36) | ACAT2MEN1CYP2C9TSHRCYP2C19 | |
| SCHEMBL17757643 | 0.79 | KMT2A (0.40) | ALDH1A1TSHRCYP2C19KMT2ACYP2D6 |
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 |