Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19003654 | 0.92 | ESR1 (0.42) | ESR1ESR2PYCR1KMT2AHTR2A | |
| SCHEMBL18719647 | 0.91 | ESR1 (0.44) | ESR1ESR2PYCR1KMT2AHTR2A | |
| SCHEMBL25788715 | 0.90 | NR1I2 (0.45) | ESR1ESR2PYCR1KMT2AHTR2A | |
| SCHEMBL18896204 | 0.86 | NR1I2 (0.41) | ESR1ESR2PYCR1HTR2ACYP2A6 | |
| SCHEMBL18816268 | 0.85 | NR1I2 (0.47) | ESR1ESR2PYCR1HTR2ACYP1A2 | |
| SCHEMBL18816275 | 0.83 | NR1I2 (0.50) | PYCR1HTR2ACYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL22358957 | 0.83 | NR1I2 (0.50) | PYCR1HTR2ACYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL19351071 | 0.83 | NR1I2 (0.50) | PYCR1HTR2ACYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL18763953 | 0.81 | NR1I2 (0.49) | PYCR1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL18896268 | 0.81 | NR1I2 (0.49) | PYCR1CYP1A2CYP2D6SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110627831-A | Bibiaryl acetal phosphines, their preparation and use in coupling reactions | 东莞市均成高新材料有限公司 | 2019-12-31 | — | — | CN | disclosed |
| US-9901592-B2 | Methods for treating resistant diseases using triazole containing macrolides | CEMPRA PHARMACEUTICALS, INC. (US) | 2018-02-27 | — | — | US | disclosed |