Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9727705 | 0.81 | ABCB1 (0.41) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL9727737 | 0.79 | ESR1 (0.42) | ALOX15 | |
| SCHEMBL9727632 | 0.79 | DRD2 (0.39) | — | |
| SCHEMBL9727783 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL9727495 | 0.77 | ALDH1A1 (0.43) | ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL9727667 | 0.68 | CYP3A4 (0.33) | CYP3A4ALOX5 | |
| SCHEMBL9843450 | 0.68 | DRD2 (0.31) | — | |
| SCHEMBL30284467 | 0.67 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX5ARPTGS1 | |
| SCHEMBL10800100 | 0.67 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX5ARPTGS1 | |
| SCHEMBL335296 | 0.67 | GABRA1 (0.59) | ALDH1A1CYP3A4TP53ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5091533-A | Treating allergies, cardiovascular disorders, inflammation | MERCK FROSST CANADA, INC. (CA) | 1992-02-25 | — | — | US | disclosed |
| EP-0447189-A1 | 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA INC. (CA) | 1991-09-18 | — | — | EP | disclosed |