Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dibutyl Phthalate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Dibutyl Phthalate SCHEMBL10794635 | 0.98 | TSHR (0.78) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Acrylic Acid SCHEMBL27677837 | 0.93 | ALDH1A1 (0.79) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Acrylic Acid SCHEMBL27605925 | 0.90 | ALDH1A1 (0.84) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL28634934 | 0.89 | TSHR (0.89) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL28924279 | 0.89 | TSHR (0.96) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL8813340 | 0.89 | TSHR (0.96) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL28117014 | 0.88 | TSHR (0.81) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL11361797 | 0.87 | TSHR (0.93) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL27781455 | 0.87 | TSHR (0.93) | TSHRL3MBTL1TDP1CYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL29353340 | 0.87 | TSHR (1.00) | TSHRL3MBTL1TDP1CYP3A4MAPK1 |
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-105713556-A | Computer display screen sealant and preparation method thereof | 王璐 | 2016-06-29 | — | — | CN | disclosed |