Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 9/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5134802 | 0.82 | PARP1 (0.51) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8566804 | 0.78 | KMT2A (0.63) | SMOKMT2AATM | |
| SCHEMBL28646233 | 0.77 | CCR5 (0.51) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28642386 | 0.77 | SMO (0.59) | SMOKMT2A | |
| SCHEMBL672519 | 0.76 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL672520 | 0.76 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5140671 | 0.75 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL5984031 | 0.74 | PTGS1 (0.43) | SMOSLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5654548 | 0.73 | KMT2A (0.51) | SMOKMT2AATM | |
| SCHEMBL16269300 | 0.73 | SLC6A4 (0.71) | SLC6A4SLC6A2SLC6A3 |
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 |