Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL24030026 | 0.68 | ESR1 (0.48) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL38579 | 0.65 | ALDH1A1 (0.44) | CRHBPCRHR2ALDH1A1CYP3A4CNR1 | |
| SCHEMBL6854492 | 0.63 | ESR1 (0.61) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL1276281 | 0.63 | ESR1 (0.57) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL24030008 | 0.63 | ESR1 (0.47) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL30545316 | 0.62 | ALDH1A1 (0.45) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL35881 | 0.61 | ESR1 (0.70) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL14910456 | 0.61 | ESR1 (0.70) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL29674392 | 0.60 | NOX1 (0.49) | ALDH1A1ESR1CYP3A4ESR2CNR1 | |
| SCHEMBL2139511 | 0.60 | NOX1 (0.49) | ALDH1A1ESR1CYP3A4ESR2CNR1 |
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 |