Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL29031397 | 0.77 | ESR1 (0.48) | ESR1TSHRALDH1A1MEN1LMNA | |
| SCHEMBL7030620 | 0.77 | ESR1 (0.48) | TRPA1ESR1TSHRALDH1A1MEN1 | |
| SCHEMBL954806 | 0.76 | ESR1 (0.46) | TRPA1ESR1TSHRALDH1A1MEN1 | |
| SCHEMBL29433705 | 0.76 | ESR1 (0.46) | TRPA1ESR1TSHRALDH1A1MEN1 | |
| SCHEMBL14593350 | 0.75 | TRPA1 (0.47) | TRPA1TSHRALDH1A1LMNAMAPT | |
| SCHEMBL1628591 | 0.74 | TRPA1 (0.50) | TRPA1TSHRALDH1A1LMNAMAPT | |
| SCHEMBL1125095 | 0.74 | TRPA1 (0.50) | TRPA1TSHRALDH1A1LMNASGMS2 | |
| SCHEMBL27782003 | 0.74 | TRPA1 (0.50) | TRPA1TSHRALDH1A1MEN1MAPT | |
| SCHEMBL28256581 | 0.74 | TRPA1 (0.50) | TRPA1ESR1TSHRALDH1A1MEN1 | |
| SCHEMBL11453434 | 0.74 | ESR1 (0.45) | ESR1TSHRALDH1A1MEN1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522634-A | Biaryl ureas carboxylic acid derivates or its salt and its production and use | 复旦大学 | 2017-12-29 | — | — | CN | disclosed |
| CN-1031404-C | Substituted azole, process for production and use thereof | HOECHST AG (DE) | 1996-03-27 | — | — | CN | disclosed |
| US-5225414-A | SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-07-06 | — | — | US | disclosed |