Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.36 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 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 | |
|---|---|---|---|---|
| SCHEMBL8535025 | 0.85 | ESR1 (0.39) | ESR1SERPINE1GRM2PPARG | |
| SCHEMBL8535303 | 0.76 | MAT2A (0.55) | CYP3A4PTGDR2 | |
| SCHEMBL8534631 | 0.76 | PPARG (0.40) | SERPINE1PPARG | |
| SCHEMBL29240187 | 0.74 | ALDH1A1 (0.51) | MAPK8CYP3A4MAPK9PPARG | |
| SCHEMBL30866017 | 0.71 | ESR1 (0.43) | MAPK8ESR1MAPK9 | |
| SCHEMBL29240230 | 0.71 | ESR1 (0.44) | ESR1PPARGTRPV1 | |
| SCHEMBL29240188 | 0.71 | ESR1 (0.43) | MAPK8ESR1MAPK9 | |
| SCHEMBL30866019 | 0.71 | ESR1 (0.44) | ESR1PPARGTRPV1 | |
| SCHEMBL8532926 | 0.70 | MAT2A (0.51) | CYP3A4 | |
| SCHEMBL8514142 | 0.69 | ALOX5 (0.48) | OPRK1PTGES |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |