Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.45 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 4/20 | 0.45 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | CTSB | P07858 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1508628 | 0.80 | AKT1 (0.49) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL30392703 | 0.78 | PPARA (0.48) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL25698477 | 0.78 | AKT1 (0.45) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL25698474 | 0.78 | AKT1 (0.45) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL20506777 | 0.78 | AKT1 (0.58) | AKT1IDO1CA12CA1CA7 | |
| Acetic Acid SCHEMBL1046385 | 0.77 | SYK (0.46) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL14704751 | 0.77 | AKT1 (0.48) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL4522027 | 0.76 | SYK (0.46) | AKT1IDO1NPFFR1NPFFR2CA12 | |
| SCHEMBL14737847 | 0.75 | SYK (0.56) | IDO1NPFFR1NPFFR2CA12CA1 | |
| SCHEMBL3838871 | 0.75 | CA12 (0.63) | AKT1IDO1CA12CA1CA7 |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |