Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 10/20 | 0.45 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.45 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8844659 | 1.00 | TSHR (0.46) | TSHRTRPM8LPAR3LPAR2FAAH | |
| SCHEMBL11018515 | 0.92 | TSHR (0.52) | TSHRTRPM8LPAR3LPAR2FAAH | |
| SCHEMBL8845351 | 0.91 | TSHR (0.50) | TSHRTRPM8LPAR3LPAR2 | |
| SCHEMBL24624080 | 0.85 | TSHR (0.35) | TSHRTRPM8 | |
| SCHEMBL24624079 | 0.82 | TSHR (0.36) | TSHRTRPM8 | |
| SCHEMBL11315119 | 0.82 | TSHR (0.42) | TSHR | |
| SCHEMBL25837817 | 0.82 | TSHR (0.42) | TSHR | |
| SCHEMBL24624359 | 0.82 | ALDH1A1 (0.37) | TSHR | |
| SCHEMBL24624360 | 0.82 | ALDH1A1 (0.37) | TSHR | |
| SCHEMBL18964 | 0.82 | LPAR3 (0.62) | TSHRTRPM8LPAR3LPAR2FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-5679849-A | Method of producing a bis(2-carboxyethyl)alkyl phosphine oxide and a derivative thereof | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 1997-10-21 | — | — | US | disclosed |