Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMPD2 | Q01433 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410823 | 0.91 | AMPD2 (0.34) | AMPD2GRIN2BHTR3EHTR3BHTR3A | |
| SCHEMBL16410869 | 0.89 | GAA (0.33) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL16410660 | 0.86 | TAAR1 (0.32) | AMPD2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410566 | 0.82 | SLC6A4 (0.33) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410625 | 0.77 | GRIN2B (0.34) | GRIN2B | |
| SCHEMBL16410631 | 0.77 | ACAT2 (0.36) | HTR6ACAT2 | |
| SCHEMBL16410767 | 0.76 | ACAT2 (0.43) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410685 | 0.74 | TSHR (0.33) | AMPD2GRIN2BCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410863 | 0.73 | ACAT2 (0.35) | GRIN2BHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410844 | 0.73 | — | — |
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 |