Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.72 |
| ▸ | CA2 | P00918 | 1/20 | 0.72 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.65 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.65 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 7/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29125518 | 1.00 | ALDH1A1 (0.72) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL29125516 | 0.94 | ALDH1A1 (0.81) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL28971634 | 0.93 | ALDH1A1 (0.78) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Alcohol SCHEMBL28995205 | 0.91 | ALDH1A1 (0.84) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL472689 | 0.90 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL28270017 | 0.90 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL28278055 | 0.90 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL29399469 | 0.90 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| SCHEMBL21114418 | 0.90 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2PRSS1PRSS2 | |
| Phthalic Acid SCHEMBL28278056 | 0.90 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2PRSS1PRSS2 |
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-116973479-A | Method for measuring 18 phthalic acid monoesters in urine by liquid chromatography-tandem mass spectrometry | 中国测试技术研究院 | 2023-10-31 | — | — | CN | claimed |
| CN-116973479-A | Method for measuring 18 phthalic acid monoesters in urine by liquid chromatography-tandem mass spectrometry | 中国测试技术研究院 | 2023-10-31 | — | — | CN | disclosed |