Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16762047 | 0.79 | DRD1 (0.46) | DRD1KIF11SLC22A12TRPA1 | |
| SCHEMBL16610424 | 0.73 | KIF11 (0.36) | KIF11 | |
| SCHEMBL896271 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL138188 | 0.73 | ALDH1A1 (0.48) | DRD1 | |
| SCHEMBL660556 | 0.72 | KIF11 (0.40) | KIF11 | |
| SCHEMBL28012610 | 0.71 | TRPV1 (0.49) | — | |
| SCHEMBL16610391 | 0.71 | TRPV1 (0.49) | — | |
| SCHEMBL16057085 | 0.70 | DRD1 (0.44) | DRD1KIF11 | |
| SCHEMBL18987826 | 0.70 | DRD1 (0.44) | DRD1 | |
| SCHEMBL6856881 | 0.68 | KIF11 (0.46) | KIF11 |
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-2015043522-A1 | TRIFLUOROMETHYL-CONTAINING AMIDE ALKALOID, MANUFACTURING METHOD AND PHARMACEUTICAL USE THEREOF | 天士力制药集团股份有限公司 | 2015-04-02 | — | — | WO | disclosed |