Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 8/20 | 0.37 |
| ▸ | TDO2 | P48775 | 8/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11510215 | 0.77 | CYP3A4 (0.45) | ESR1IDO1TDO2CYP2D6CYP3A4 | |
| SCHEMBL11088161 | 0.76 | ESR1 (0.46) | ESR1IDO1TDO2CYP2D6CYP3A4 | |
| SCHEMBL11094397 | 0.76 | ESR1 (0.46) | ESR1IDO1TDO2CYP2D6CYP3A4 | |
| SCHEMBL5268174 | 0.74 | ESR1 (0.75) | ESR1POLBIDO1TDO2CYP2D6 | |
| SCHEMBL11519652 | 0.73 | ALDH1A1 (0.43) | ESR1CYP2D6CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL11521224 | 0.72 | ESR1 (0.37) | ESR1IDO1TDO2CYP2D6CYP3A4 | |
| SCHEMBL11509664 | 0.71 | TACR1 (0.36) | ESR1IDO1TDO2CYP2D6CYP3A4 | |
| SCHEMBL11518265 | 0.71 | ALDH1A1 (0.43) | POLBIDO1CYP2C9LMNAALDH1A1 | |
| SCHEMBL8934386 | 0.71 | POLB (0.54) | POLBCYP3A4LMNANPC1ALDH1A1 | |
| SCHEMBL8419309 | 0.70 | ESR1 (0.42) | ESR1IDO1TDO2CYP2D6CYP3A4 |
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-4171446-A | Indazole compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1979-10-16 | — | — | US | disclosed |