Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PGK1 | P00558 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633645 | 1.00 | TSHR (0.52) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL864500 | 0.89 | TSHR (0.50) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL16013560 | 0.89 | TSHR (0.50) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL1626324 | 0.89 | TSHR (0.50) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL29721556 | 0.89 | TSHR (0.50) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL358890 | 0.89 | TSHR (0.50) | TSHRMAPK1ALDH1A1CYP3A4MAPT | |
| Benzene SCHEMBL27763648 | 0.85 | TSHR (0.47) | TSHRMAPK1ALDH1A1CYP3A4TDP1 | |
| SCHEMBL80032 | 0.84 | PPIA (0.47) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL29586844 | 0.84 | PPIA (0.47) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL15798372 | 0.84 | TSHR (0.46) | TSHRMAPK1ALDH1A1CYP3A4CYP1A2 |
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-113912563-B | Benzo five-membered nitrogen heterocyclic compound and application thereof | 中国科学院广州生物医药与健康研究院 | 2025-05-27 | — | — | CN | disclosed |