Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL499483 | 0.89 | GAA (0.56) | GAATHRBCA2ALDH1A1MAPT | |
| SCHEMBL499475 | 0.84 | GAA (0.49) | GAATHRBALDH1A1MAPTTDP1 | |
| SCHEMBL10950433 | 0.84 | GAA (0.53) | GAATHRBCA2ALDH1A1MAPT | |
| SCHEMBL6674869 | 0.81 | TDP1 (0.47) | GAATHRBALDH1A1MAPTTDP1 | |
| SCHEMBL832001 | 0.81 | ALDH1A1 (0.71) | GAACA2ALDH1A1MAPTTDP1 | |
| SCHEMBL11330772 | 0.80 | ALDH1A1 (0.53) | GAATHRBALDH1A1MAPTTDP1 | |
| SCHEMBL3712418 | 0.79 | CA2 (0.56) | GAATHRBCA2ALDH1A1MAPT | |
| SCHEMBL11322561 | 0.79 | CA2 (0.44) | GAATHRBCA2ALDH1A1MAPT | |
| SCHEMBL11322541 | 0.78 | GAA (0.43) | GAATHRBCA2ALDH1A1MAPT | |
| SCHEMBL11022280 | 0.78 | KMT2A (0.59) | GAATHRBCA2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0061082-B1 | PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-4H-1,4-BENZOTHIAZINES | BAYER AG (DE) | 1984-11-28 | — | — | EP | disclosed |
| US-4393206-A | DEHYDROCYCLIZATION OF 2-(2-HYDROXYALKYL)-THIOANILINES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-07-12 | — | — | US | disclosed |
| EP-0061082-A1 | Process for the preparation of 2,3-dihydro-4H-1,4-benzothiazines | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |