Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.36 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | LITAF | Q99732 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL4760231 | 0.93 | ALK (0.40) | ACACBACACAPDE7AALK | |
| SCHEMBL4708583 | 0.87 | XIAP (0.39) | ACACBACACA | |
| SCHEMBL4707073 | 0.87 | ACACB (0.35) | ACACBACACATNFLITAF | |
| SCHEMBL4707267 | 0.87 | ACACA (0.38) | ACACBACACA | |
| SCHEMBL4708596 | 0.87 | ACACA (0.36) | ACACBACACATNFLITAF | |
| SCHEMBL4708996 | 0.85 | ACACA (0.35) | ACACBACACATNFLITAF | |
| SCHEMBL4710103 | 0.84 | ACACA (0.37) | ACACBACACATNFLITAF | |
| SCHEMBL4760480 | 0.84 | NOTUM (0.36) | ACACBACACAPDE7A | |
| SCHEMBL4759663 | 0.84 | TTK (0.37) | ACACBACACA | |
| SCHEMBL4709980 | 0.83 | ACACA (0.36) | ACACBACACACDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |