Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3395868 | 0.86 | HSD17B3 (0.46) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL108987 | 0.78 | ESR1 (0.52) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL11579020 | 0.76 | ESR1 (0.50) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL17662333 | 0.73 | ESR1 (0.47) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL22926766 | 0.73 | HSD17B3 (0.47) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL29351491 | 0.72 | ESR1 (0.68) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL30753092 | 0.72 | ESR1 (0.68) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL4247422 | 0.72 | ESR1 (0.68) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL11949347 | 0.72 | ESR1 (0.68) | ESR1TDP1CYP2C9ALOX15LMNA | |
| SCHEMBL1053042 | 0.72 | ACHE (0.53) | ESR1TDP1CYP2C9ALOX15LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011081658-A2 | METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANTS | QTEROS, INC. (US) | 2011-07-07 | — | — | WO | disclosed |