Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 14/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17856291 | 0.91 | CHRM3 (0.59) | SOAT1CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL5475717 | 0.85 | PTPN1 (0.62) | SOAT1CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL8325863 | 0.82 | CHRM3 (0.51) | SOAT1CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL3848855 | 0.81 | SMN1; SMN2 (0.64) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1CHRM2 | |
| SCHEMBL17847478 | 0.81 | CHRM3 (0.53) | SOAT1CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL8323364 | 0.81 | CHRM3 (0.50) | SMN1; SMN2CHRM3ALDH1A1CHRM2CHRM1 | |
| SCHEMBL2320061 | 0.81 | SMN1; SMN2 (0.77) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL7357008 | 0.81 | SMN1; SMN2 (0.64) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL7378894 | 0.81 | SMN1; SMN2 (0.68) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL3867996 | 0.81 | SMN1; SMN2 (0.68) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2518044-B1 | METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE | MITSUI CHEMICALS INC (JP) | 2016-04-13 | — | — | EP | disclosed |
| EP-2518044-A1 | METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE | Mitsui Chemicals, Inc. (JP) | 2012-10-31 | — | — | EP | disclosed |
| EP-1423386-A1 | THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003022842-A1 | THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-20 | — | — | WO | disclosed |