Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10054535 | 1.00 | TSHR (0.36) | TSHRTRPA1TDP1 | |
| SCHEMBL8170697 | 0.75 | — | — | |
| SCHEMBL15736492 | 0.73 | — | — | |
| SCHEMBL23192931 | 0.72 | TSHR (0.40) | TSHR | |
| SCHEMBL3036892 | 0.72 | TRPA1 (0.38) | TSHRTRPA1 | |
| SCHEMBL2332845 | 0.70 | — | — | |
| SCHEMBL14478259 | 0.70 | TAAR1 (0.37) | — | |
| SCHEMBL14478269 | 0.70 | TAAR1 (0.37) | — | |
| SCHEMBL15737103 | 0.70 | — | — | |
| SCHEMBL22558873 | 0.70 | TRPA1 (0.37) | TSHRTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2598510-A2 | LIGANDS FOR SELECTIVE ASYMMETRIC HYDROFORMYLATION | Dr. Reddy's Laboratories Ltd. (IN) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016147-A2 | LIGANDS FOR SELECTIVE ASYMMETRIC HYDROFORMYLATION | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-02-02 | — | — | WO | disclosed |