Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | BCL9 | O00512 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565133 | 0.90 | CHRM3 (0.45) | CHRM3NOTUMEPHX1CCR5UBE2M | |
| SCHEMBL4512194 | 0.85 | SLC6A2 (0.45) | NOTUMBCL9CTNNB1UBE2MDCUN1D1 | |
| SCHEMBL4510883 | 0.85 | SLC6A2 (0.45) | NOTUMBCL9CTNNB1UBE2MDCUN1D1 | |
| SCHEMBL4117389 | 0.81 | CHRM3 (0.42) | CHRM3NOTUMEPHX1USP30 | |
| SCHEMBL4847784 | 0.81 | CHRM3 (0.42) | CHRM3NOTUMEPHX1USP30 | |
| SCHEMBL4493804 | 0.81 | SLC6A2 (0.45) | NOTUMUBE2MDCUN1D1SLC6A2 | |
| SCHEMBL4497752 | 0.81 | SLC6A2 (0.45) | NOTUMUBE2MDCUN1D1SLC6A2 | |
| SCHEMBL4847465 | 0.78 | CHRM3 (0.43) | CHRM3NOTUMEPHX1 | |
| SCHEMBL4955085 | 0.78 | CHRM3 (0.43) | CHRM3NOTUMEPHX1 | |
| SCHEMBL4503886 | 0.75 | SLC6A2 (0.47) | UBE2MDCUN1D1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7491723-B2 | Alkanol and cycloalkanol-amine derivatives and methods of their use | WYETH (US) | 2009-02-17 | — | — | US | disclosed |