Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6276945 | 0.92 | MAOB (0.38) | ABCB1 | |
| SCHEMBL6277363 | 0.88 | CYP17A1 (0.31) | — | |
| SCHEMBL6281809 | 0.87 | ABCB1 (0.34) | ABCB1CYP19A1 | |
| SCHEMBL6274623 | 0.87 | — | — | |
| SCHEMBL6277051 | 0.87 | ABCB1 (0.34) | ABCB1CYP19A1CALM1 | |
| SCHEMBL6274263 | 0.75 | — | — | |
| SCHEMBL6281046 | 0.74 | MAOB (0.33) | — | |
| SCHEMBL6274210 | 0.74 | ABCB1 (0.38) | ABCB1CYP19A1CALM1 | |
| SCHEMBL6281237 | 0.74 | ABCB1 (0.46) | ABCB1 | |
| SCHEMBL6278569 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | claimed |