Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL29504844 | 0.75 | SNCA (0.43) | SHBGCYP3A4CYP2D6HIF1ALMNA | |
| SCHEMBL2456413 | 0.75 | SNCA (0.43) | SHBGCYP3A4CYP2D6HIF1ALMNA | |
| SCHEMBL10971922 | 0.72 | KDM4E (0.41) | GAACRHBPCRHR2MEN1MAPT | |
| SCHEMBL1718554 | 0.70 | NOX1 (0.54) | SHBGCYP3A4LMNAGAASMN1; SMN2 | |
| SCHEMBL38579 | 0.68 | ALDH1A1 (0.44) | CYP3A4LMNAGAACRHBPCRHR2 | |
| SCHEMBL11801822 | 0.66 | SHBG (0.43) | SHBGCYP3A4CYP2D6HIF1ALMNA | |
| SCHEMBL10971144 | 0.65 | ESR1 (0.41) | LMNACRHBPCRHR2ESR1MAPT | |
| SCHEMBL11099115 | 0.63 | CRHBP (0.35) | CYP3A4CRHBPCRHR2ESR1 | |
| SCHEMBL24148718 | 0.63 | SMN1; SMN2 (0.36) | LMNAGAASMN1; SMN2MEN1AR | |
| SCHEMBL28420819 | 0.62 | SHBG (0.50) | SHBGCYP3A4CYP2D6HIF1ALMNA |
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 |