Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30394315 | 0.87 | ESR1 (0.64) | ESR1ESR2PDCD1CD274CYP2D6 | |
| SCHEMBL2472270 | 0.87 | ESR1 (0.64) | ESR1ESR2PDCD1CD274CYP2D6 | |
| SCHEMBL10706145 | 0.82 | ESR1 (0.58) | ESR1ESR2PDCD1CD274CYP2D6 | |
| SCHEMBL28936283 | 0.81 | ESR1 (0.53) | ESR1ESR2PDCD1CD274CYP2D6 | |
| SCHEMBL7723812 | 0.78 | ESR2 (0.53) | ESR1ESR2PDCD1CD274MIF | |
| SCHEMBL9518901 | 0.76 | ADRB2 (0.57) | CYP2D6OPRM1CYP3A4SLC6A2ADRA1A | |
| SCHEMBL28601374 | 0.76 | ESR1 (0.48) | ESR1ESR2CYP2D6CYP3A4SLC6A2 | |
| SCHEMBL1602384 | 0.74 | ESR1 (0.81) | ESR1ESR2PDCD1CD274OPRM1 | |
| SCHEMBL28217880 | 0.74 | ESR1 (0.81) | ESR1ESR2PDCD1CD274OPRM1 | |
| SCHEMBL20995814 | 0.73 | ESR1 (0.47) | ESR1ESR2PDCD1CD274CYP2D6 |
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-5672462-A | Optical recording medium | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-09-30 | — | — | US | disclosed |