Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 9/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10569546 | 0.90 | SLC28A3 (0.46) | ESR1ESR2LTA4HCA2GPR84 | |
| SCHEMBL10566495 | 0.90 | IGF1R (0.47) | ESR1ESR2LTA4HCA2GPR84 | |
| SCHEMBL10569187 | 0.78 | DAO (0.50) | TAAR1IGF1RALOX15 | |
| SCHEMBL10567365 | 0.71 | AOC3 (0.42) | — | |
| SCHEMBL3873458 | 0.71 | ESR1 (1.00) | ESR1ESR2LTA4HCA2KDM4E | |
| SCHEMBL69344 | 0.71 | ESR1 (1.00) | ESR1ESR2LTA4HCA2KDM4E | |
| SCHEMBL6851114 | 0.70 | — | — | |
| SCHEMBL10570142 | 0.68 | CDK5 (0.43) | ESR1ESR2L3MBTL1KMT2A | |
| SCHEMBL9553194 | 0.68 | ESR1 (0.50) | ESR1ESR2LTA4HCA2GPR84 | |
| SCHEMBL8425150 | 0.67 | ESR1 (0.68) | ESR1ESR2LTA4HCA2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0302603-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1989-02-08 | — | — | EP | claimed |
| US-4798843-A | HYPOTENSIVE AGENTS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-01-17 | — | — | US | claimed |
| EP-0302603-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1989-02-08 | — | — | EP | disclosed |
| US-4798843-A | HYPOTENSIVE AGENTS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-01-17 | — | — | US | disclosed |