Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10657221 | 0.77 | GFER (0.46) | MMP2ADAM17DRD2KDM4EALDH1A1 | |
| SCHEMBL11266427 | 0.74 | ESR1 (0.43) | ESR1ESR2MTNR1BKIF11ALDH1A1 | |
| SCHEMBL11264481 | 0.73 | DRD1 (0.46) | ESR1ESR2MTNR1BDRD2KIF11 | |
| SCHEMBL11544771 | 0.73 | CYP3A4 (0.43) | ESR1ESR2MTNR1BDRD2KIF11 | |
| SCHEMBL11264048 | 0.73 | CYP3A4 (0.43) | ESR1ESR2MTNR1BADAM17DRD2 | |
| SCHEMBL11480295 | 0.72 | CYP3A4 (0.42) | ESR1ESR2MTNR1BDRD2KIF11 | |
| SCHEMBL13928827 | 0.68 | DRD1 (0.50) | DRD2KDM4EMEN1ALOX15TSHR | |
| SCHEMBL11216105 | 0.68 | DRD1 (0.50) | DRD2KDM4EMEN1ALOX15TSHR | |
| SCHEMBL11256769 | 0.67 | ALDH1A1 (0.51) | DRD2KDM4EALDH1A1MEN1TSHR | |
| SCHEMBL11392885 | 0.67 | GAA (0.48) | DRD2KDM4EALDH1A1HTTCYP2C9 |
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-0127423-B1 | 1-(4'-BRANCHED ALKYLSULFONYLPHENYL)-6-CHLORO-7,8-DIHYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES | SMITHKLINE BECKMAN CORPORATION (US) | 1988-02-03 | — | — | EP | disclosed |
| US-4514394-A | Anti-hypertensive use of 1-(4'-branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1985-04-30 | — | — | US | disclosed |
| EP-0127423-A2 | 1-(4'-Branched alkylsulfonylphenyl)-6-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE BECKMAN CORPORATION (US) | 1984-12-05 | — | — | EP | disclosed |