Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CTSK | P43235 | 11/20 | 0.46 |
| ▸ | CTSS | P25774 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL14923467 | 1.00 | CA1 (0.57) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL14923549 | 0.86 | CA1 (0.53) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL38665117 | 0.85 | CA1 (0.71) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL14098271 | 0.85 | CA1 (0.71) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL24669522 | 0.84 | CA1 (0.59) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL3389500 | 0.84 | CA1 (0.59) | CA1CA2CA7CTSKCTSS | |
| Hydrochloric Acid SCHEMBL38664422 | 0.84 | CA1 (0.69) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL15244379 | 0.84 | CA1 (0.59) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL19546156 | 0.84 | CA1 (0.59) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL15081309 | 0.84 | CA1 (0.59) | CA1CA2CA7CTSKCTSS |
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-2023134673-A1 | HIGH-SELECTIVITY KCNQ4 POTASSIUM CHANNEL AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-07-20 | — | — | WO | disclosed |