Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL27621833 | 0.98 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRPOLBRAB9APKM | |
| Dioxane SCHEMBL9860485 | 0.90 | TSHR (0.73) | SMN1; SMN2TSHRPOLBRAB9APKM | |
| Cyclohexane SCHEMBL18585697 | 0.87 | TSHR (0.84) | SMN1; SMN2TSHRPOLBCYP2D6GAA | |
| Cyclopropane SCHEMBL2101078 | 0.87 | TSHR (0.84) | SMN1; SMN2TSHRPOLBCYP2D6GAA | |
| Phosphine SCHEMBL27770571 | 0.85 | TSHR (0.80) | SMN1; SMN2TSHRPOLBCYP2D6GAA | |
| Fluoride SCHEMBL8718922 | 0.82 | TSHR (0.94) | SMN1; SMN2TSHRPOLBCYP2D6LMNA | |
| Morpholine SCHEMBL3328086 | 0.81 | TSHR (0.59) | SMN1; SMN2TSHRPOLBRAB9APKM | |
| SCHEMBL11309704 | 0.81 | ALDH1A1 (0.47) | SMN1; SMN2POLBPKMCYP2D6MEN1 | |
| SCHEMBL597672 | 0.80 | TSHR (1.00) | SMN1; SMN2TSHRPOLBCYP2D6LMNA | |
| SCHEMBL3409457 | 0.80 | TSHR (1.00) | SMN1; SMN2TSHRPOLBCYP2D6LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20050256152-A1 | Salt of a sulfonic acid containing clopidogrel and use thereof for the production of pharmaceutical formulations | HELM AG (DE) | 2005-11-17 | — | — | US | disclosed |
| US-20050203122-A1 | Benzenesulfonic acid salts of clopidogrel, methods for preparing same, and pharmaceutical formulations thereof | HELM AG | 2005-09-15 | — | — | US | disclosed |