Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410840 | 0.95 | ACAT2 (0.42) | ACAT2KMT2ANOS3NOS1NOS2 | |
| SCHEMBL17757234 | 0.89 | ACAT2 (0.41) | ACAT2KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17757443 | 0.89 | ACAT2 (0.41) | ACAT2KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17757470 | 0.89 | ACAT2 (0.41) | ACAT2KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410643 | 0.89 | ACAT2 (0.35) | ACAT2KMT2ANOS3NOS1NOS2 | |
| SCHEMBL16410679 | 0.88 | ACAT2 (0.40) | ACAT2KMT2ANOS3NOS1NOS2 | |
| SCHEMBL17757440 | 0.88 | ACAT2 (0.42) | ACAT2KMT2ANOS3NOS1NOS2 | |
| SCHEMBL16410633 | 0.88 | ACAT2 (0.37) | ACAT2KMT2ANOS3NOS1NOS2 | |
| SCHEMBL16410559 | 0.88 | NOS3 (0.34) | ACAT2KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410739 | 0.88 | KMT2A (0.39) | ACAT2KMT2AMAPTKDM4EPDE7A |
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 |