Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 5/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28685174 | 0.89 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL4167259 | 0.85 | PRSS1 (0.74) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL17798280 | 0.84 | ALDH1A1 (0.77) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL5918234 | 0.83 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL17798335 | 0.83 | ALDH1A1 (0.75) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL28679533 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL28932316 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL15132763 | 0.81 | CYP3A4 (0.49) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL6402307 | 0.81 | ALDH1A1 (0.91) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL5353531 | 0.81 | TSHR (0.65) | ALDH1A1CYP3A4LMNATSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114008119-A | Glycol ether aryl ester plasticizers | 伊士曼化工公司 | 2022-02-01 | — | — | CN | claimed |
| CN-114008119-A | Glycol ether aryl ester plasticizers | 伊士曼化工公司 | 2022-02-01 | — | — | CN | disclosed |