Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Vinyl Chloride. 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 | 3/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL21933110 | 0.88 | TSHR (0.76) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL27919091 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL30955955 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Propene SCHEMBL6243344 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| SCHEMBL28810412 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Propene SCHEMBL436529 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Propene SCHEMBL11422813 | 0.86 | TSHR (0.73) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Formaldehyde SCHEMBL9220822 | 0.85 | TSHR (0.89) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Ethylene SCHEMBL27803431 | 0.85 | TSHR (0.89) | TSHRSMN1; SMN2TDP1POLBCYP2D6 | |
| Formaldehyde SCHEMBL561200 | 0.85 | TSHR (0.89) | TSHRSMN1; SMN2TDP1POLBCYP2D6 |
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-109232394-A | A kind of fluorescent molecule, preparation method and application identifying copper ion | 四川中科微纳科技有限公司 | 2019-01-18 | — | — | CN | disclosed |