Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.31 |
| ▸ | DDX3X | O00571 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 2/20 | 0.31 |
| ▸ | ICMT | O60725 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410718 | 0.84 | PIK3CA (0.34) | PIK3CBICMT | |
| SCHEMBL16410626 | 0.84 | NOS3 (0.34) | PIK3CB | |
| SCHEMBL16410701 | 0.81 | PIK3CA (0.33) | PIK3CB | |
| SCHEMBL16410650 | 0.79 | CYP1A2 (0.34) | LMNAPKM | |
| SCHEMBL16410845 | 0.76 | DHFR (0.31) | ALDH1A1 | |
| SCHEMBL16410774 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL16410683 | 0.75 | PIK3CA (0.32) | PIK3CB | |
| SCHEMBL16410731 | 0.75 | KDM4E (0.30) | HTTALDH1A1 | |
| SCHEMBL16410536 | 0.75 | TSHR (0.35) | ALDH1A1 | |
| SCHEMBL16410780 | 0.74 | MEN1 (0.35) | — |
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 |