Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 9/20 | 0.35 |
| ▸ | NOS3 | P29474 | 6/20 | 0.35 |
| ▸ | NOS2 | P35228 | 5/20 | 0.35 |
| ▸ | C3AR1 | Q16581 | 1/20 | 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 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.31 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.31 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.31 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410772 | 0.78 | SIGMAR1 (0.34) | MEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL16410793 | 0.77 | CYP1A2 (0.34) | LMNAKMT2A | |
| SCHEMBL16410820 | 0.74 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL16410595 | 0.73 | P2RX7 (0.32) | LMNA | |
| SCHEMBL16410774 | 0.72 | MEN1 (0.36) | NOS1NOS3NOS2MEN1TP53 | |
| SCHEMBL16410642 | 0.71 | BACE1 (0.30) | — | |
| SCHEMBL16410732 | 0.71 | NOS3 (0.31) | NOS1NOS3NOS2 | |
| SCHEMBL17757533 | 0.71 | ACAT2 (0.40) | NOS1NOS3NOS2C3AR1PLAAT3 | |
| SCHEMBL16410678 | 0.70 | CNR1 (0.31) | — | |
| SCHEMBL16410611 | 0.70 | — | — |
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 |