Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189661 | 0.90 | ESR1 (0.41) | KIF11ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL21189651 | 0.88 | ESR1 (0.45) | ESR1ESR2ALDH1A1CYP3A4 | |
| SCHEMBL21189658 | 0.82 | KIF11 (0.41) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL22737749 | 0.81 | KIF11 (0.40) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL21189631 | 0.81 | KIF11 (0.40) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL22738140 | 0.81 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL22991387 | 0.81 | KIF11 (0.33) | KIF11ESR1ESR2 | |
| SCHEMBL21189659 | 0.78 | ESR1 (0.48) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL23861532 | 0.77 | ALDH1A1 (0.52) | KIF11CYP2C9ESR1ESR2PTPN5 | |
| SCHEMBL21189809 | 0.75 | ESR1 (0.35) | KIF11CYP2C9ESR1ESR2 |
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-3744710-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2020-12-02 | — | — | EP | disclosed |
| WO-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |