Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 9/20 | 0.81 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.81 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | LMNA | P02545 | 4/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
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 SCHEMBL27657051 | 1.00 | TSHR (0.81) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Benzoic Acid SCHEMBL14843230 | 0.97 | TSHR (0.76) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Benzoic Acid SCHEMBL28762471 | 0.94 | ALDH1A1 (0.82) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL8813340 | 0.92 | TSHR (0.96) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL28924279 | 0.92 | TSHR (0.96) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Terephthalic Acid SCHEMBL28180361 | 0.91 | ALDH1A1 (0.82) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Terephthalic Acid SCHEMBL27283292 | 0.91 | ALDH1A1 (0.82) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Terephthalic Acid SCHEMBL27274771 | 0.91 | ALDH1A1 (0.82) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL15766379 | 0.90 | TSHR (0.81) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Benzene SCHEMBL3679548 | 0.90 | TSHR (0.86) | TSHRTDP1L3MBTL1MAPK1CYP3A4 |
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-104073072-A | Nano functional ecological environmental-friendly coating | NANTONG SNAKEBITE THERAPY RES INST | 2014-10-01 | — | — | CN | disclosed |