Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6563562 | 0.83 | HTT (0.43) | TSHRSLC6A3ALOX5MAPTPKM | |
| SCHEMBL6999631 | 0.82 | TSHR (0.66) | TSHRGAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2030838 | 0.80 | ALOX5 (0.47) | TSHRGAAALOX5MAPTALDH1A1 | |
| SCHEMBL10407411 | 0.78 | ESR1 (0.56) | TSHRSLC6A2SLC6A4SLC6A3ALOX5 | |
| SCHEMBL15004363 | 0.76 | TSHR (0.69) | TSHRSLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL724559 | 0.75 | CYP3A4 (0.52) | TSHRGAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8538684 | 0.74 | SLC6A2 (0.63) | TSHRGAASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL396521 | 0.74 | ALDH1A1 (0.38) | TSHRSLC6A2SLC6A4SLC6A3ALOX5 | |
| SCHEMBL8427022 | 0.73 | CYP2C9 (0.48) | TSHRALOX5ALDH1A1HPGDCES2 | |
| SCHEMBL28668759 | 0.73 | TSHR (0.44) | TSHRALOX5CYP3A4AHRMAPT |
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-113736096-B | Self-adaptive intelligent material based on coordination bond and preparation method and application thereof | 南京大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-113736096-A | Self-adaptive intelligent material based on coordination bond and preparation method and application thereof | 南京大学 | 2021-12-03 | — | — | CN | disclosed |
| CN-108290820-B | Method for recovering aromatic alcohol from melt polymerization and system for recovering same | 沙特基础工业全球技术有限公司 | 2021-10-01 | — | — | CN | disclosed |