Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410536 | 0.88 | TSHR (0.35) | TSHRKMT2AALDH1A1 | |
| SCHEMBL16410774 | 0.80 | MEN1 (0.36) | TSHRKMT2AMAPT | |
| SCHEMBL16410650 | 0.78 | CYP1A2 (0.34) | KMT2AMAPT | |
| SCHEMBL16410793 | 0.78 | CYP1A2 (0.34) | KMT2AMAPT | |
| SCHEMBL16410776 | 0.77 | NOS3 (0.35) | TSHRKMT2AALDH1A1MAPT | |
| SCHEMBL16410539 | 0.77 | EPHX2 (0.38) | KMT2A | |
| SCHEMBL16410780 | 0.76 | MEN1 (0.35) | TSHRKMT2AMAPT | |
| SCHEMBL16410822 | 0.76 | HTT (0.34) | ALDH1A1 | |
| SCHEMBL16410772 | 0.76 | SIGMAR1 (0.34) | KMT2AALDH1A1 | |
| SCHEMBL16410731 | 0.74 | KDM4E (0.30) | ALDH1A1 |
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 |