Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544771 | 0.80 | CYP3A4 (0.43) | ESR1ESR2ALDH1A1MTNR1BCYP3A4 | |
| SCHEMBL11264481 | 0.80 | DRD1 (0.46) | ESR1ESR2ALDH1A1MTNR1BTSHR | |
| SCHEMBL11264048 | 0.79 | CYP3A4 (0.43) | ESR1ESR2ALDH1A1MTNR1BTP53 | |
| SCHEMBL11480295 | 0.79 | CYP3A4 (0.42) | ESR1ESR2ALDH1A1MTNR1BCYP3A4 | |
| SCHEMBL10748846 | 0.76 | ESR1 (0.47) | ESR1ESR2L3MBTL1MTNR1BTP53 | |
| SCHEMBL10744663 | 0.75 | ESR1 (0.49) | ESR1ESR2L3MBTL1MTNR1BHTT | |
| SCHEMBL10656555 | 0.74 | ESR1 (0.38) | ESR1ESR2L3MBTL1ALDH1A1MTNR1B | |
| SCHEMBL11273006 | 0.74 | ESR1 (0.54) | ESR1ESR2ALDH1A1TSHRALOX15 | |
| SCHEMBL10746034 | 0.73 | CYP3A4 (0.56) | ESR1ESR2ALDH1A1MTNR1BHTT | |
| SCHEMBL6716414 | 0.71 | ESR1 (0.67) | ESR1ESR2KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4321195-A | 6-Halo-7,8-dimethoxy-1-(methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |
| US-4197297-A | 6-Halo-7,8-dihydroxy-1-(hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepines | SMITHKLINE CORPORATION (US) | 1980-04-08 | — | — | US | disclosed |