Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 6/20 | 0.33 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 5/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | ACAT2 | Q9BWD1 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410747 | 0.87 | PDE7A (0.38) | KMT2ATSHRCYP2D6CYP2C19MAPT | |
| SCHEMBL16410824 | 0.87 | PDE7A (0.38) | KMT2ATSHRCYP2D6CYP2C19MAPT | |
| SCHEMBL16410733 | 0.86 | POLB (0.36) | KMT2APDE7AHPGDACAT2 | |
| SCHEMBL16410739 | 0.83 | KMT2A (0.39) | KMT2ATSHRMAPTKDM4ENPC1 | |
| SCHEMBL16410622 | 0.82 | KMT2A (0.37) | KMT2AMAPTKDM4ENPC1RAB9A | |
| SCHEMBL16410640 | 0.82 | MAOA (0.36) | KMT2AKDM4EALDH1A1 | |
| SCHEMBL16410746 | 0.81 | KMT2A (0.34) | KMT2ANPC1RAB9A | |
| SCHEMBL16410711 | 0.77 | SMN1; SMN2 (0.37) | KMT2ASMN1; SMN2 | |
| SCHEMBL16410619 | 0.77 | LOXL2 (0.33) | KMT2ATSHRCYP2D6SMN1; SMN2ACAT2 | |
| SCHEMBL16410790 | 0.77 | LMNA (0.36) | KMT2AMAPTPDE7AALDH1A1HPGD |
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 |