Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1856576 | 0.86 | BCHE (0.35) | TP53CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL1860158 | 0.85 | CHRM4 (0.31) | CHRM3CHRM4 | |
| SCHEMBL1860026 | 0.84 | CHRM3 (0.35) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL1864751 | 0.81 | CHRM3 (0.39) | CHRM3CHRM2CYP2D6SMN1; SMN2BCHE | |
| SCHEMBL6044069 | 0.74 | LTA4H (0.35) | CARM1PRMT6LMNALTA4H | |
| SCHEMBL1855721 | 0.74 | ATM (0.31) | — | |
| SCHEMBL1361014 | 0.73 | SMN1; SMN2 (0.43) | CYP1A2CYP2D6NFKB1ALDH1A1LMNA | |
| SCHEMBL1857654 | 0.72 | DRD2 (0.36) | TP53CYP1A2CYP3A4CYP2D6PKM | |
| SCHEMBL1855305 | 0.72 | CHRM1 (0.35) | CHRM3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL4694714 | 0.72 | CHRM3 (0.57) | CHRM3CHRM4CHRM5CHRM1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863475-B1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-07 | — | — | EP | claimed |
| EP-1863787-B1 | HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-05-25 | — | — | EP | claimed |
| EP-1863474-B1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-11-12 | — | — | EP | claimed |