Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 18/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16624031 | 0.85 | ACACB (0.43) | ACACB | |
| SCHEMBL18034961 | 0.84 | SLC6A4 (0.42) | CYP17A1CYP2C9CYP2C19ACACB | |
| SCHEMBL16624050 | 0.84 | ACACB (0.41) | ACACB | |
| SCHEMBL17993872 | 0.82 | ACACB (0.43) | ACACB | |
| SCHEMBL16624097 | 0.82 | ACACB (0.56) | ACACB | |
| SCHEMBL16624024 | 0.81 | SLC6A4 (0.48) | ACACB | |
| SCHEMBL16624090 | 0.80 | ACACB (0.43) | ACACB | |
| SCHEMBL16624034 | 0.79 | HRH3 (0.46) | CYP17A1CYP2C9CYP2C19BACE1 | |
| SCHEMBL17965644 | 0.79 | ALDH1A1 (0.40) | ACACB | |
| SCHEMBL18033540 | 0.78 | ACACB (0.42) | ACACB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015050212-A1 | T-TYPE CALCIUM CHANNEL BLOCKER | 日産化学工業株式会社 | 2015-04-09 | — | — | WO | disclosed |