Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757416 | 0.89 | ACAT2 (0.36) | EGFRKMT2AMAOBMEN1 | |
| SCHEMBL17757087 | 0.88 | APP (0.35) | CYP1A2CLK4APPCTSBCTSS | |
| SCHEMBL17758056 | 0.84 | APP (0.35) | EGFRAPPPOLBALDH1A1HPGD | |
| SCHEMBL17757399 | 0.82 | ACAT2 (0.36) | KMT2AMAOBMEN1TP53 | |
| SCHEMBL17757415 | 0.81 | ACAT2 (0.38) | EGFRAPPKMT2AMAOBMEN1 | |
| SCHEMBL17757613 | 0.80 | GRM4 (0.36) | EGFRMAOBCYP3A4CYP2C19 | |
| SCHEMBL17992119 | 0.80 | APP (0.38) | CYP1A2CLK4APPCTSBCTSS | |
| SCHEMBL17757095 | 0.79 | ACAT2 (0.32) | KMT2ANPC1RAB9AKDM4EMAPK1 | |
| SCHEMBL17757307 | 0.79 | ACAT2 (0.44) | EGFRMAOB | |
| SCHEMBL17757831 | 0.79 | ACAT2 (0.37) | APPKMT2AMAOBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |