Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL271491 | 0.89 | TSHR (0.68) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL28523512 | 0.89 | TSHR (0.68) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL31020921 | 0.89 | TSHR (0.68) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL31426841 | 0.87 | TSHR (0.71) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL1919907 | 0.87 | TSHR (0.71) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL14672550 | 0.87 | TSHR (0.71) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL28095256 | 0.86 | ALDH1A1 (0.68) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL19667986 | 0.86 | TSHR (0.68) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL23930320 | 0.84 | ALDH1A1 (0.69) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL11131188 | 0.84 | ALDH1A1 (0.69) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112903884-B | Method for simultaneously detecting phthalate compounds and metabolites thereof and application thereof | 中国科学院深圳先进技术研究院 | 2022-07-12 | — | — | CN | disclosed |