Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL28057784 | 0.89 | TSHR (0.43) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| SCHEMBL16246331 | 0.86 | CYP3A4 (0.48) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| SCHEMBL16246341 | 0.73 | CYP3A4 (0.46) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| SCHEMBL16387388 | 0.73 | CYP3A4 (0.51) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| Benzene SCHEMBL8820576 | 0.73 | TSHR (0.91) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| SCHEMBL16387389 | 0.72 | CYP3A4 (0.49) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| Stearic Acid SCHEMBL28053526 | 0.72 | TSHR (0.78) | TSHRALDH1A1TDP1CYP3A4HSD17B10 | |
| Behenic Acid SCHEMBL27900825 | 0.72 | TSHR (0.78) | TSHRALDH1A1TDP1CYP3A4HSD17B10 | |
| Propionic Acid SCHEMBL27940464 | 0.71 | TSHR (0.88) | TSHRALDH1A1MAPK1TDP1CYP3A4 | |
| SCHEMBL29596375 | 0.71 | TSHR (1.00) | TSHRALDH1A1MAPK1TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105531268-A | Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | GALAPAGOS NV | 2016-04-27 | — | — | CN | disclosed |