Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18031642 | 1.00 | CHRM2 (0.34) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| SCHEMBL31439446 | 0.92 | EPHX1 (0.37) | EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL18769132 | 0.90 | CHRM2 (0.32) | CHRM2CHRM3CHRM4CHRM5CHRM1 | |
| SCHEMBL12657856 | 0.86 | — | — | |
| SCHEMBL872855 | 0.86 | — | — | |
| SCHEMBL22960991 | 0.84 | EPHX1 (0.33) | EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL15115421 | 0.80 | CYP2A6 (0.33) | CYP2A6EPHX1 | |
| SCHEMBL17934308 | 0.80 | SLC6A4 (0.48) | EPHX1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15115420 | 0.80 | CYP2A6 (0.33) | CYP2A6EPHX1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19396003 | 0.80 | SLC6A4 (0.48) | EPHX1SLC6A2SLC6A4SLC6A3 |
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-1648922-B3 | SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY | TRANZYME PHARMA INC (CA) | 2012-08-15 | — | — | EP | disclosed |