Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16989406 | 0.84 | GPR119 (0.72) | GPR119 | |
| SCHEMBL28639701 | 0.83 | GPR119 (0.75) | GPR119USP30 | |
| SCHEMBL20955964 | 0.82 | PDK2 (0.66) | PDK2MCHR1USP30L3MBTL3MAPT | |
| SCHEMBL17559466 | 0.80 | PDK2 (0.52) | PDK2MCHR1USP30L3MBTL3CCR5 | |
| SCHEMBL28291011 | 0.80 | MCHR1 (0.65) | PDK2MCHR1 | |
| SCHEMBL28872695 | 0.80 | SMN1; SMN2 (0.52) | GPR119ALDH1A1GAASMN1; SMN2MCHR1 | |
| SCHEMBL28872513 | 0.79 | SMO (0.54) | GPR119PDK2MCHR1USP30L3MBTL3 | |
| SCHEMBL6120915 | 0.78 | USP30 (0.53) | ALDH1A1SMN1; SMN2PDK2MCHR1USP30 | |
| SCHEMBL17572995 | 0.75 | MCHR1 (0.54) | PDK2MCHR1USP30L3MBTL3CCR5 | |
| SCHEMBL14624308 | 0.75 | GPR119 (0.51) | GPR119KCNH2LMNACA12CA1 |
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-109734700-A | SMO inhibitor of the piperidine structure containing benzoyl and preparation method thereof and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |