Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL306439 | 0.79 | ESR1 (0.58) | ESR1ESR2TYRCYP3A4ALDH1A1 | |
| SCHEMBL51204 | 0.79 | ESR1 (0.80) | ESR1ESR2PDCD1CD274TYR | |
| SCHEMBL8031145 | 0.79 | ESR1 (0.80) | ESR1ESR2PDCD1CD274TYR | |
| SCHEMBL14473442 | 0.76 | ESR1 (0.67) | ESR1ESR2PDCD1CD274TYR | |
| Phenol SCHEMBL12230911 | 0.75 | ESR1 (0.80) | ESR1ESR2PDCD1CD274TYR | |
| Phenol SCHEMBL21194938 | 0.75 | ESR1 (0.80) | ESR1ESR2PDCD1CD274TYR | |
| SCHEMBL17071860 | 0.74 | ACP3 (0.55) | CYP3A4ALDH1A1ACP3KIF11ADRA2A | |
| SCHEMBL3679251 | 0.73 | ESR1 (0.56) | ESR1ESR2TYRCYP3A4ALDH1A1 | |
| Phenol SCHEMBL28206460 | 0.73 | ESR1 (0.67) | ESR1ESR2PDCD1CD274TYR | |
| SCHEMBL3686212 | 0.72 | ESR1 (0.54) | ESR1ESR2TYRCYP3A4ALDH1A1 |
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-20030139564-A1 | Production of polyester carbonates | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | US | claimed |
| US-20030139564-A1 | Production of polyester carbonates | BAYER AKTIENGESELLSCHAFT (DE) | 2003-07-24 | — | — | US | disclosed |