Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL2126761 | 0.83 | CYP1A2 (0.56) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 | |
| SCHEMBL812963 | 0.82 | ALDH1A1 (0.41) | TSHRCYP2A6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL3964013 | 0.82 | ALDH1A1 (0.41) | TSHRCYP2A6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL811938 | 0.82 | ALDH1A1 (0.41) | TSHRCYP2A6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL19682355 | 0.82 | CYP1A2 (0.54) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 | |
| Hydrochloric Acid SCHEMBL2878221 | 0.81 | CYP2A6 (0.39) | TSHRCYP2A6CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL1707630 | 0.80 | CYP2A6 (0.52) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 | |
| Hydrogen Peroxide SCHEMBL8610674 | 0.80 | CYP1A2 (0.52) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 | |
| SCHEMBL9828476 | 0.80 | CYP2A6 (0.52) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 | |
| SCHEMBL18242403 | 0.80 | CYP1A2 (0.52) | TSHRCYP2A6CYP1A2ALDH1A1ACP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004608-B1 | AN IMPROVED PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM | GLADE ORGANICS PRIVATE LTD (IN) | 2011-09-14 | — | — | EP | claimed |