Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5427 | 0.90 | ALDH1A1 (0.35) | ALDH1A1TSHRTP53 | |
| SCHEMBL758893 | 0.90 | ALDH1A1 (0.35) | ALDH1A1TSHRTP53 | |
| Bromide SCHEMBL28542014 | 0.87 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53 | |
| Water SCHEMBL28635166 | 0.87 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53 | |
| SCHEMBL22689331 | 0.87 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53 | |
| Ammonia Solution, Strong SCHEMBL18983394 | 0.87 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53 | |
| Tert-Butanol SCHEMBL2149847 | 0.85 | THRB (0.35) | ALDH1A1TSHR | |
| Bicarbonate SCHEMBL15874485 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TSHRCA2TP53 | |
| Ethylene SCHEMBL29034469 | 0.84 | ALDH1A1 (0.32) | ALDH1A1TSHRTP53 | |
| SCHEMBL926990 | 0.84 | ALDH1A1 (0.32) | ALDH1A1TSHRTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514723-A | Synthesis method of 5, 6-2-chloro-1-ethyl-1H-benzimidazole-2-one (DCEBIO) | 上海麦克林生化科技股份有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-104284918-B | urethane type and urea ester type compound and preparation method thereof | 高剑萍 | 2017-03-29 | — | — | CN | disclosed |