Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPRF | P10586 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22737553 | 0.95 | S1PR1 (0.42) | CYP3A4CYP2C9S1PR1S1PR5PDK2 | |
| SCHEMBL21189677 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9S1PR1S1PR5PDK2 | |
| SCHEMBL22737899 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2C9S1PR1S1PR5PDK2 | |
| SCHEMBL21189811 | 0.83 | NPC1 (0.43) | LMNASMN1; SMN2ALDH1A1NPC1PLA2G1B | |
| SCHEMBL21189674 | 0.80 | ESR1 (0.47) | CYP3A4LMNAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL21189414 | 0.79 | KIF11 (0.40) | CYP3A4CYP2C9S1PR1S1PR5PDK2 | |
| SCHEMBL23082034 | 0.79 | ESR1 (0.43) | CYP3A4CYP2C9S1PR1S1PR5PDK2 | |
| SCHEMBL21189630 | 0.78 | NPC1 (0.40) | KIF11LMNAHTTMAPTXBP1 | |
| SCHEMBL21189421 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C9KIF11LMNAHTT | |
| SCHEMBL21189635 | 0.76 | ESR1 (0.40) | CYP2C9KIF11LMNAHTTMAPT |
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 |