Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11378629 | 1.00 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL11359878 | 1.00 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL6904985 | 1.00 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| Cetrimonium SCHEMBL11374448 | 1.00 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL11362584 | 0.93 | ESR1 (0.46) | ESR1ADORA3AGTR1KCNH2MLNR | |
| Phenyl Dihydrogen Phosphate SCHEMBL11362295 | 0.91 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| Phenyl Dihydrogen Phosphate SCHEMBL11374481 | 0.91 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL11364700 | 0.91 | MLNR (0.60) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL11372107 | 0.91 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR | |
| SCHEMBL11370988 | 0.91 | ESR1 (0.49) | ESR1ADORA3AGTR1KCNH2MLNR |
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-4252662-A | EROSION INHIBITOR | STAUFFER CHEMICAL COMPANY (US) | 1981-02-24 | — | — | US | disclosed |
| US-4077860-A | Photopolymerizable composition stabilized with ammonium salts of phosphorus acid and process | STAUFFER CHEMICAL COMPANY (US) | 1978-03-07 | — | — | US | disclosed |