Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL416287 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL18287923 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL414934 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL415460 | 0.77 | NPSR1 (0.68) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL414943 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL416288 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL416279 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL18287902 | 0.73 | MAOA (0.58) | CYP1A2CYP2C19TAAR1NPSR1CFTR | |
| SCHEMBL414309 | 0.73 | NPSR1 (0.52) | CYP1A2CYP2C19NPSR1CFTRGOPC | |
| SCHEMBL24224558 | 0.72 | NPSR1 (0.58) | CYP1A2CYP2C19NPSR1CFTRGOPC |
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 |