Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.35 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757190 | 0.93 | MAOB (0.36) | ACAT2HRH4CARM1PRMT6HTR6 | |
| SCHEMBL17757740 | 0.89 | ACAT2 (0.37) | ACAT2HRH4CARM1PRMT6HTR6 | |
| SCHEMBL17757746 | 0.88 | HRH4 (0.42) | ACAT2HRH4HTR6MAOBHTR2A | |
| SCHEMBL17992047 | 0.88 | BRD4 (0.42) | ACAT2CARM1PRMT6SIGMAR1 | |
| SCHEMBL19934619 | 0.88 | ACAT2 (0.35) | ACAT2HRH4CARM1PRMT6HTR6 | |
| SCHEMBL17757187 | 0.88 | ACHE (0.36) | ACAT2HRH4CARM1PRMT6HTR6 | |
| SCHEMBL17757475 | 0.87 | ACAT2 (0.43) | ACAT2HTR6MAOBAPPLMNA | |
| SCHEMBL17758032 | 0.86 | ACAT2 (0.39) | ACAT2HRH4HTR6MAOBHTR2A | |
| SCHEMBL17757186 | 0.86 | ACAT2 (0.39) | ACAT2HRH4HTR6MAOBAPP | |
| SCHEMBL17757189 | 0.86 | ACAT2 (0.36) | ACAT2HTR6MAOBSIGMAR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3021847-B1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) | 2023-06-07 | — | — | EP | disclosed |
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |