Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL22562557 | 0.97 | ALOX5AP (0.39) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562553 | 0.91 | ALOX5AP (0.39) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562589 | 0.90 | ALOX5AP (0.37) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562391 | 0.89 | CTSS (0.37) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562476 | 0.89 | KIF11 (0.39) | CYP2C9MEN1NPC1KMT2AATM | |
| SCHEMBL19942801 | 0.89 | S1PR1 (0.36) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562613 | 0.86 | ALOX5AP (0.39) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562527 | 0.86 | CTSS (0.39) | ALOX5APFEN1CYP2C9SCN9AEDNRB | |
| SCHEMBL22562353 | 0.86 | RAB9A (0.39) | CYP2C9MEN1NPC1KMT2AADORA2A | |
| SCHEMBL21108431 | 0.85 | S1PR1 (0.38) | ALOX5APFEN1CYP2C9SCN9AEDNRB |
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 |