Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | SGK1 | O00141 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21189810 | 0.89 | ESR1 (0.44) | ESR1ESR2SGK1 | |
| SCHEMBL21189626 | 0.87 | ESR1 (0.47) | CYP3A4ESR1ESR2MAPK1 | |
| SCHEMBL21189679 | 0.86 | NPC1 (0.38) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21189522 | 0.85 | KIF11 (0.42) | ESR1ESR2SGK1 | |
| SCHEMBL21189633 | 0.85 | KIF11 (0.42) | ESR1ESR2SGK1 | |
| SCHEMBL21189818 | 0.81 | HPGD (0.33) | CYP2D6CYP1A2MEN1MAPTKMT2A | |
| SCHEMBL22738052 | 0.81 | ESR2 (0.46) | ESR1ESR2CYP2A6ADORA2AADORA1 | |
| SCHEMBL23861507 | 0.81 | ESR1 (0.50) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22991293 | 0.80 | CNR1 (0.44) | CYP3A4ESR1ESR2 | |
| SCHEMBL22991295 | 0.80 | ALDH1A1 (0.47) | CYP2D6CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210047457-A1 | COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2021-02-18 | — | — | US | disclosed |
| 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 |