Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 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 | |
|---|---|---|---|---|
| SCHEMBL8366263 | 0.86 | MEN1 (0.55) | KCNH2OPRD1MCHR1SLC6A4SLC6A2 | |
| SCHEMBL28630966 | 0.86 | POLB (0.46) | KCNH2OPRD1MCHR1SLC6A4SLC6A2 | |
| SCHEMBL28292429 | 0.85 | MCHR1 (0.60) | MCHR1HTR2CPDK2 | |
| SCHEMBL3455662 | 0.84 | KCNH2 (0.63) | CCR5KCNH2ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL3809371 | 0.84 | SLC6A4 (0.51) | CCR5KCNH2OPRD1CCR3SLC6A4 | |
| Hydrochloric Acid SCHEMBL30272616 | 0.84 | MCHR1 (0.59) | MCHR1HTR2CPDK2 | |
| Hydrochloric Acid SCHEMBL19520331 | 0.83 | L3MBTL1 (0.58) | OPRD1MCHR1SLC6A4SLC6A2ALDH1A1 | |
| SCHEMBL7407588 | 0.83 | CCR5 (0.52) | CCR5KCNH2MCHR1HTR2CCCR3 | |
| SCHEMBL16578992 | 0.82 | EGLN1 (0.50) | SLC6A4SLC6A2PDK2NSD2 | |
| SCHEMBL28628582 | 0.82 | MCHR1 (0.50) | KCNH2OPRD1MCHR1SLC6A4SLC6A2 |
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-B | SMO inhibitor containing benzoyl piperidine structure and preparation method and application thereof | 中国药科大学 | 2021-09-28 | — | — | CN | disclosed |