Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2457612 | 1.00 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL17056955 | 1.00 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL2457318 | 1.00 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6653691 | 0.80 | CHRM2 (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10449210 | 0.80 | CHRM2 (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL14141163 | 0.80 | CHRM2 (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL13722682 | 0.77 | TSHR (0.31) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL12990820 | 0.75 | CHRM2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL18250835 | 0.75 | CHRM2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL19934329 | 0.73 | CHRM2 (0.47) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863475-B1 | NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-07 | — | — | EP | disclosed |