Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26661041 | 1.00 | TSHR (0.39) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL16284331 | 0.92 | ALDH1A1 (0.42) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL16285727 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPTHSD17B10TDP1 | |
| SCHEMBL10916256 | 0.76 | ESPL1 (0.38) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL30556448 | 0.75 | S100A4 (0.41) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL29062251 | 0.75 | S100A4 (0.41) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL10911072 | 0.75 | TDP1 (0.47) | TSHRALDH1A1CYP3A4MAPTCYP1A2 | |
| SCHEMBL5311206 | 0.73 | TSHR (0.56) | TSHRALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL10916251 | 0.73 | GPR35 (0.42) | TSHRALDH1A1CYP3A4MAPTCYP1A2 | |
| SCHEMBL30443513 | 0.73 | PDK1 (0.45) | TSHRALDH1A1CYP3A4RECQLMAPT |
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-117069614-A | Preparation method and application of 2-substituted aryl acetonitrile compound | 合力科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-117069556-A | Preparation method and application of alkylaryl ketone compound | 合力科技股份有限公司 | 2023-11-17 | — | — | CN | disclosed |