Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410725 | 0.90 | KDM4E (0.40) | HTTSMN1; SMN2KDM4EALDH1A1FFAR1 | |
| SCHEMBL16410799 | 0.79 | LMNA (0.32) | LTA4HEPHX2HTTSMN1; SMN2KDM4E | |
| SCHEMBL17757423 | 0.71 | CACNA1B (0.38) | KDM4EALDH1A1FFAR1MAPK14FFAR4 | |
| SCHEMBL17757175 | 0.70 | FFAR1 (0.35) | LTA4HEPHX2HTTSMN1; SMN2KDM4E | |
| SCHEMBL16410832 | 0.70 | KDM4E (0.35) | HTTSMN1; SMN2KDM4EALDH1A1FFAR1 | |
| SCHEMBL16410852 | 0.70 | TAAR1 (0.40) | KDM4ELMNAMEN1KMT2A | |
| SCHEMBL17757377 | 0.70 | FFAR1 (0.34) | LTA4HEPHX2HTTSMN1; SMN2KDM4E | |
| SCHEMBL17757223 | 0.70 | MMP1 (0.36) | LTA4HEPHX2HTTKDM4EALDH1A1 | |
| SCHEMBL16410622 | 0.69 | KMT2A (0.37) | KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL16410586 | 0.69 | MYC (0.31) | — |
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 |