Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | PDE6D | O43924 | 3/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL7095574 | 0.90 | ESR1 (0.68) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL462620 | 0.83 | ESR1 (0.60) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL2399585 | 0.83 | ESR1 (0.60) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| Iodide SCHEMBL10483028 | 0.82 | ESR1 (0.59) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL3833947 | 0.82 | ESR1 (0.59) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL8910757 | 0.82 | ESR1 (0.59) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL4944410 | 0.82 | ESR1 (0.59) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL8971577 | 0.82 | ESR1 (0.59) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| Hexadecane SCHEMBL5816538 | 0.81 | ESR1 (0.57) | ESR1CYP3A4CYP2C19CYP2C9HIF1A | |
| SCHEMBL11016233 | 0.81 | ESR1 (0.57) | ESR1CYP3A4CYP2C19CYP2C9HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2613630-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | Cempra Pharmaceuticals, Inc. (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012034058-A1 | HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES | CEMPRA PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | WO | disclosed |