Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL8366263 | 0.87 | MEN1 (0.55) | POLBMCHR1SLC6A4ALDH1A1GAA | |
| SCHEMBL28646233 | 0.86 | CCR5 (0.51) | MCHR1SLC6A4ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL3809371 | 0.85 | SLC6A4 (0.51) | SLC6A4KCNH2SLC6A2PTK2OPRD1 | |
| Hydrochloric Acid SCHEMBL19520331 | 0.84 | L3MBTL1 (0.58) | POLBMCHR1SLC6A4ALDH1A1GAA | |
| SCHEMBL28628582 | 0.83 | MCHR1 (0.50) | MCHR1SLC6A4ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL16578992 | 0.83 | EGLN1 (0.50) | SLC6A4SLC6A2SMOPDK2ACACB | |
| SCHEMBL17572927 | 0.83 | SMN1; SMN2 (0.44) | POLBMCHR1SLC6A4ALDH1A1GAA | |
| SCHEMBL28292429 | 0.83 | MCHR1 (0.60) | MCHR1PDK2 | |
| SCHEMBL3039614 | 0.83 | SLC6A4 (0.43) | POLBMCHR1SLC6A4ALDH1A1GAA | |
| SCHEMBL18167996 | 0.83 | ALDH1A1 (0.56) | POLBMCHR1SLC6A4ALDH1A1GAA |
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 |