Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 12/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18574477 | 0.80 | SHBG (0.53) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL3480352 | 0.78 | SHBG (0.52) | SHBGESR1ESR2CYP3A4LMNA | |
| Phosphonic Acid SCHEMBL10410133 | 0.76 | SHBG (0.48) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL9847849 | 0.75 | SHBG (0.44) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL14490603 | 0.74 | ESR1 (0.50) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL19425726 | 0.73 | ESR1 (0.47) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL28797573 | 0.72 | SHBG (0.48) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL49704 | 0.72 | SHBG (0.64) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL17275040 | 0.72 | SHBG (0.41) | SHBGESR1ESR2CYP3A4 | |
| SCHEMBL10476838 | 0.72 | SHBG (0.64) | SHBGESR1ESR2CYP3A4LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3819332-B1 | PROCESS FOR PRODUCING RIGID POLYURETHANE FOAMS | BASF SE (DE) | 2022-07-06 | — | — | EP | disclosed |
| EP-3819332-A1 | PROCESS FOR PRODUCING RIGID POLYURETHANE FOAMS | BASF SE (DE) | 2021-05-12 | — | — | EP | disclosed |
| US-7855356-B2 | Determination of chemical empirical formulas of unknown compounds using accurate ion mass measurement of all isotopes | AGILENT TECHNOLOGIES, INC. (US) | 2010-12-21 | — | — | US | disclosed |
| US-20090078863-A1 | Determination Of Chemical Empirical Formulas Of Unknown Compounds Using Accurate Ion Mass Measurement Of All Isotopes | ZWEIGENBAUM JERRY A | 2009-03-26 | — | — | US | disclosed |
| US-7462818-B2 | Determination of chemical empirical formulas of unknown compounds using accurate ion mass measurement of all isotopes | AGILENT TECHNOLOGIES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-20070114373-A1 | Determination of chemical empirical formulas of unknown compounds using accurate ion mass measurement of all isotopes | AGILENT TECHNOLOGIES, INC. | 2007-05-24 | — | — | US | disclosed |