Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 15/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 15/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 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 | |
|---|---|---|---|---|
| SCHEMBL27664126 | 0.83 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C4AKR1C1APP | |
| SCHEMBL16648551 | 0.82 | ESR1 (0.41) | AKR1C3AKR1C2APPHSD17B1HSD17B2 | |
| SCHEMBL11750966 | 0.82 | ALDH1A1 (0.52) | AKR1C3AKR1C2HSD17B1HSD17B2 | |
| SCHEMBL30708493 | 0.82 | ESR1 (0.41) | AKR1C3AKR1C2APPHSD17B1HSD17B2 | |
| SCHEMBL27782035 | 0.81 | AKR1C3 (0.58) | AKR1C3AKR1C2 | |
| SCHEMBL28059560 | 0.80 | TDP1 (0.43) | AKR1C3AKR1C2HSD17B1HSD17B2 | |
| SCHEMBL27689098 | 0.79 | AKR1C3 (0.48) | AKR1C3AKR1C2AKR1C4AKR1C1 | |
| SCHEMBL27664095 | 0.79 | AKR1C3 (0.54) | AKR1C3AKR1C2AKR1C4AKR1C1 | |
| SCHEMBL27839499 | 0.78 | HSP90AA1 (0.33) | AKR1C3AKR1C2 | |
| SCHEMBL28165575 | 0.77 | TDP1 (0.52) | — |
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-105008353-B | 2-acylaminothiazole derivative or salt thereof | 安斯泰来制药株式会社 | 2017-11-10 | — | — | CN | disclosed |