Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 13/20 | 0.60 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30272616 | 0.99 | MCHR1 (0.59) | MCHR1HTR2CPDK2 | |
| SCHEMBL28646233 | 0.85 | CCR5 (0.51) | MCHR1HTR2CPDK2 | |
| SCHEMBL8366263 | 0.83 | MEN1 (0.55) | MCHR1PDK2 | |
| SCHEMBL28630966 | 0.83 | POLB (0.46) | MCHR1PDK2 | |
| SCHEMBL18924526 | 0.82 | MCHR1 (0.62) | MCHR1 | |
| SCHEMBL18167996 | 0.82 | ALDH1A1 (0.56) | MCHR1 | |
| SCHEMBL3809371 | 0.81 | SLC6A4 (0.51) | — | |
| SCHEMBL14837701 | 0.81 | MCHR1 (0.55) | MCHR1 | |
| Hydrochloric Acid SCHEMBL19520331 | 0.81 | L3MBTL1 (0.58) | MCHR1PDK2 | |
| SCHEMBL16578992 | 0.79 | EGLN1 (0.50) | PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |