Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.60 |
| ▸ | MAOB | P27338 | 12/20 | 0.43 |
| ▸ | FADS1 | O60427 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053684 | 0.91 | ESR1 (0.60) | ESR1ESR2MAOBMLNRADRB2 | |
| SCHEMBL4461737 | 0.91 | ESR1 (0.67) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4364022 | 0.85 | ESR2 (0.83) | ESR1ESR2MAOBMLNRADRB2 | |
| SCHEMBL11219441 | 0.85 | ESR1 (0.60) | ESR1ESR2MAOBHRH3 | |
| SCHEMBL11053787 | 0.85 | ESR1 (0.59) | ESR1ESR2 | |
| SCHEMBL11049466 | 0.82 | ESR1 (0.56) | ESR1ESR2MAOB | |
| SCHEMBL3487847 | 0.82 | ESR1 (0.56) | ESR1ESR2MAOBHRH3 | |
| SCHEMBL11050068 | 0.79 | ESR1 (0.60) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11051994 | 0.79 | ESR1 (0.56) | ESR1ESR2MAOBMLNRADRB2 | |
| SCHEMBL4360507 | 0.79 | SLC8A1 (0.47) | ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4461907-A | Amino-substituted flavans useful as anti-viral agents | BURROUGHS WELLCOME CO. | 1984-07-24 | — | — | US | disclosed |