Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410845 | 0.88 | DHFR (0.31) | TSHRALDH1A1KMT2A | |
| SCHEMBL16410699 | 0.81 | — | — | |
| SCHEMBL16410820 | 0.78 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL16410793 | 0.76 | CYP1A2 (0.34) | KMT2AHIF1A | |
| SCHEMBL16410650 | 0.76 | CYP1A2 (0.34) | KMT2A | |
| SCHEMBL16410539 | 0.75 | EPHX2 (0.38) | MEN1KMT2A | |
| SCHEMBL16410772 | 0.74 | SIGMAR1 (0.34) | MEN1ALDH1A1KMT2AACHE | |
| SCHEMBL16410595 | 0.72 | P2RX7 (0.32) | — | |
| SCHEMBL16410731 | 0.72 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL16410610 | 0.69 | — | — |
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 |