Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL828631 | 1.00 | ERN1 (0.36) | ERN1CYP2C9CYP3A4CYP2C19HDAC1 | |
| SCHEMBL14448986 | 0.83 | ERN1 (0.36) | ERN1CYP2C9CYP3A4CYP2C19HDAC1 | |
| SCHEMBL2009048 | 0.82 | CYP2C9 (0.36) | ERN1CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL30826192 | 0.78 | ERN1 (0.36) | ERN1CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL29628640 | 0.78 | ERN1 (0.38) | ERN1CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL12384956 | 0.78 | ERN1 (0.38) | ERN1CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL1197434 | 0.78 | CYP2C9 (0.45) | ERN1CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL21196123 | 0.77 | ERN1 (0.34) | ERN1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL20872683 | 0.76 | GABRA1 (0.43) | CYP2C9CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL20607903 | 0.75 | ERN1 (0.45) | ERN1CYP3A4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | disclosed |
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |