Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562497 | 0.94 | KIF11 (0.41) | KIF11TRPV1CYP11B2TOP1GSK3B | |
| SCHEMBL22562418 | 0.93 | KIF11 (0.36) | KIF11TRPV1CYP11B2TOP1GSK3B | |
| SCHEMBL22562491 | 0.91 | CYP11B2 (0.38) | CYP11B2GSK3BCDK2MEN1KMT2A | |
| SCHEMBL22562498 | 0.90 | MAT2A (0.39) | KIF11TRPV1CYP11B2TOP1GSK3B | |
| SCHEMBL22562306 | 0.90 | CYP11B2 (0.35) | CYP11B2GSK3BMEN1KMT2ARAB9A | |
| SCHEMBL22562415 | 0.89 | CYP11B2 (0.38) | TRPV1CYP11B2TOP1GSK3BCDK2 | |
| SCHEMBL22562601 | 0.89 | PTGDR2 (0.35) | CYP11B2GSK3BMEN1KMT2ARAB9A | |
| SCHEMBL22562329 | 0.88 | CYP11B2 (0.36) | CYP11B2MEN1KMT2ARAB9A | |
| SCHEMBL22562349 | 0.88 | CTSS (0.41) | KIF11CYP11B2TOP1GSK3BCDK2 | |
| SCHEMBL22562496 | 0.87 | CYP11B2 (0.40) | CYP11B2GSK3BCDK2MEN1KMT2A |
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-3418278-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |