Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22737750 | 0.92 | ESR1 (0.42) | ESR1ESR2KIF11CYP2C9ALDH1A1 | |
| SCHEMBL21189655 | 0.89 | ESR1 (0.60) | ESR1ESR2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL21189662 | 0.83 | ESR1 (0.44) | ESR1ESR2CYP3A4HSD17B10 | |
| SCHEMBL21189631 | 0.82 | KIF11 (0.40) | ESR1ESR2KIF11CYP2C9PTPN5 | |
| SCHEMBL94499 | 0.81 | ALDH1A1 (0.60) | KIF11ALDH1A1CYP3A4MAPK1CYP1A2 | |
| SCHEMBL966905 | 0.81 | ALDH1A1 (0.60) | KIF11ALDH1A1CYP3A4MAPK1CYP1A2 | |
| Biphenyl SCHEMBL28041385 | 0.81 | ALDH1A1 (0.60) | KIF11ALDH1A1CYP3A4MAPK1CYP1A2 | |
| SCHEMBL12696283 | 0.81 | ALDH1A1 (0.60) | KIF11ALDH1A1CYP3A4MAPK1CYP1A2 | |
| SCHEMBL21189658 | 0.80 | KIF11 (0.41) | ESR1ESR2KIF11CYP2C9ALDH1A1 | |
| SCHEMBL22991636 | 0.79 | ESR1 (0.44) | ESR1ESR2KIF11ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |