Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 2/20 | 0.56 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.56 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2028786 | 1.00 | CYP2C8 (0.56) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL626376 | 1.00 | CYP2C8 (0.56) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL13352394 | 0.92 | CYSLTR1 (0.54) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL20921968 | 0.90 | CYP2C8 (0.46) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL14113728 | 0.89 | CYP2C8 (0.45) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL27531782 | 0.87 | CYSLTR1 (0.58) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL27475143 | 0.87 | CYSLTR1 (0.58) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL29096087 | 0.86 | CYP2C8 (0.56) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL8500076 | 0.85 | CYP2C8 (0.57) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL | |
| SCHEMBL8500074 | 0.85 | CYP2C8 (0.57) | CYP2C8CYSLTR2CYSLTR1MEN1RECQL |
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-2009111998-A2 | SPECIFIC IMPURITIES OF MONTELUKAST | ZENTIVA, K.S. (CZ) | 2009-09-17 | — | — | WO | disclosed |