Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21557172 | 0.91 | KDM4E (0.37) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21557107 | 0.90 | APP (0.38) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21476314 | 0.88 | HSD17B1 (0.40) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL23334992 | 0.88 | APP (0.42) | HSD17B1HSD17B2NQO1NQO2KDM4E | |
| SCHEMBL23334676 | 0.88 | APP (0.36) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21476338 | 0.88 | APP (0.36) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21476285 | 0.87 | CYP19A1 (0.38) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21476451 | 0.87 | CYP19A1 (0.38) | HSD17B1HSD17B2KDM1ANQO1NQO2 | |
| SCHEMBL21476433 | 0.87 | HSD17B1 (0.42) | HSD17B1HSD17B2NQO1NQO2KDM4E | |
| SCHEMBL21476305 | 0.86 | HSD17B1 (0.40) | HSD17B1HSD17B2KDM1ANQO1NQO2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3790875-B1 | N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES | NOVALED GMBH (DE) | 2024-07-03 | — | — | EP | disclosed |
| WO-2019215179-A1 | N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES | NOVALED GMBH (DE) | 2019-11-14 | — | — | WO | disclosed |
| EP-3567039-A1 | N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES | Novaled GmbH (DE) | 2019-11-13 | — | — | EP | disclosed |