Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL1859299 | 0.86 | CHRM3 (0.37) | BCHECYP3A4CYP1A2CYP2D6TP53 | |
| SCHEMBL1855721 | 0.84 | ATM (0.31) | — | |
| SCHEMBL1860026 | 0.80 | CHRM3 (0.35) | BCHECYP3A4CYP1A2CYP2D6TP53 | |
| SCHEMBL1864751 | 0.77 | CHRM3 (0.39) | BCHECYP2D6 | |
| SCHEMBL1857654 | 0.75 | DRD2 (0.36) | CYP3A4CYP1A2CYP2D6TP53PKM | |
| SCHEMBL1855305 | 0.75 | CHRM1 (0.35) | CYP1A2CYP2D6 | |
| SCHEMBL250507 | 0.74 | BCHE (0.61) | BCHEMAOB | |
| SCHEMBL1860158 | 0.73 | CHRM4 (0.31) | — | |
| SCHEMBL4695552 | 0.73 | SMN1; SMN2 (0.50) | BCHECYP3A4CYP1A2CYP2D6 | |
| SCHEMBL771319 | 0.72 | — | — |
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 |