Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.50 |
| ▸ | LIPE | Q05469 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 5/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | MMP7 | P09237 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.41 |
| ▸ | MMP8 | P22894 | 3/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27587902 | 0.88 | MMP13 (0.48) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL27572305 | 0.88 | MMP13 (0.51) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL27587919 | 0.87 | NPC1 (0.56) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL27587914 | 0.86 | NPC1 (0.45) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL28947867 | 0.79 | GPR119 (0.50) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL1807945 | 0.79 | GPR119 (0.57) | GPR119LIPEALDH1A1STSKCNH2 | |
| SCHEMBL27984560 | 0.77 | GPR119 (0.41) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4236846 | 0.77 | GPR119 (0.57) | GPR119LIPEALDH1A1NPC1MAPT | |
| SCHEMBL6401146 | 0.75 | GPR119 (0.59) | GPR119LIPESTSMMP13MMP2 | |
| SCHEMBL28750645 | 0.74 | GPR119 (0.50) | GPR119LIPEALDH1A1STSKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1390201-A | cyclic amine compounds as CCR5 antagonists | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | CN | disclosed |