Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410672 | 0.92 | ACAT2 (0.38) | APEX1ROCK2METAP2CD38GABRP | |
| SCHEMBL16410872 | 0.82 | PDE7A (0.35) | CYP3A4CYP2C9CYP2C19NOS3NOS1 | |
| SCHEMBL16410606 | 0.80 | ACAT2 (0.40) | CYP3A4CYP2C9CYP2C19TP53NOS3 | |
| SCHEMBL16410703 | 0.80 | AKT2 (0.33) | TP53METAP2CD38CNR1 | |
| SCHEMBL17757608 | 0.80 | CD38 (0.45) | CYP3A4CYP2C9CYP2C19TP53NOS3 | |
| SCHEMBL17757590 | 0.78 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19TP53APEX1 | |
| SCHEMBL17757618 | 0.78 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19TP53APEX1 | |
| SCHEMBL16410563 | 0.77 | TP53 (0.38) | CYP3A4CYP2C9CYP2C19TP53ROCK2 | |
| SCHEMBL16410868 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL16410782 | 0.76 | ACAT2 (0.34) | CYP3A4CYP2C9CYP2C19NOS3NOS1 |
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 |