Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1707754 | 0.90 | AKR1B1 (0.31) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1708607 | 0.89 | — | — | |
| SCHEMBL10012386 | 0.86 | FFAR1 (0.37) | — | |
| SCHEMBL10012388 | 0.86 | FFAR1 (0.37) | — | |
| SCHEMBL1708308 | 0.82 | AKR1C3 (0.41) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1707742 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL1708097 | 0.80 | S1PR1 (0.33) | — | |
| SCHEMBL1707802 | 0.80 | — | — | |
| SCHEMBL1708311 | 0.78 | HDAC1 (0.30) | — | |
| SCHEMBL1708574 | 0.78 | HDAC1 (0.30) | — |
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-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |