Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757882 | 0.93 | PIK3CA (0.40) | PIK3CAPIK3CBALDH1A1MC4RPOLB | |
| SCHEMBL17757422 | 0.83 | MAOB (0.40) | ALDH1A1MC4RACAT2GAAKDM4E | |
| SCHEMBL16410840 | 0.83 | ACAT2 (0.42) | KMT2AACAT2GAAKDM4EMAPT | |
| SCHEMBL16410753 | 0.83 | ACAT2 (0.35) | KMT2AACAT2KDM4EMAPTHTT | |
| SCHEMBL16410598 | 0.83 | ACAT2 (0.36) | POLBKMT2AACAT2KDM4ECARM1 | |
| SCHEMBL17757424 | 0.82 | CCNT1 (0.40) | MC4RPOLBTSHRMEN1KMT2A | |
| SCHEMBL17757430 | 0.82 | PIK3CA (0.41) | PIK3CAPIK3CBALDH1A1KMT2AACAT2 | |
| SCHEMBL16410769 | 0.81 | ACAT2 (0.36) | KMT2AACAT2KDM4EMAPTHTT | |
| SCHEMBL16410773 | 0.81 | ACAT2 (0.36) | KMT2AACAT2KDM4EMAPTHTT | |
| SCHEMBL16410633 | 0.81 | ACAT2 (0.37) | KMT2AACAT2KDM4EMAPTLMNA |
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 |