Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | ACE | P12821 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27438213 | 1.00 | SCN9A (0.54) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL27502333 | 0.85 | SCN9A (0.57) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL28336154 | 0.83 | SCN9A (0.56) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL27669149 | 0.83 | SCN9A (0.51) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL27455708 | 0.81 | PPARG (0.48) | SRRATMPPARGPPARA | |
| SCHEMBL28529040 | 0.78 | SCN9A (0.53) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL28029609 | 0.78 | SCN9A (0.56) | SCN9ANPC1RAB9AMAPTSRR | |
| SCHEMBL28837747 | 0.77 | SCN9A (0.47) | SCN9ANPC1RAB9AMAPTATM | |
| SCHEMBL28837742 | 0.77 | SCN9A (0.47) | SCN9ANPC1RAB9AMAPTATM | |
| SCHEMBL10874175 | 0.77 | SRR (0.51) | SRRALDH1A1HTTNCOA1SMN1; SMN2 |
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-113195641-A | Sulfoxonium ylide derivatives as probes for cysteine proteases | 武田药品工业株式会社 | 2021-07-30 | — | — | CN | disclosed |