Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL847951 | 1.00 | TSHR (0.34) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL1588075 | 1.00 | TSHR (0.34) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL847288 | 1.00 | TSHR (0.34) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL2320997 | 0.74 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL10583136 | 0.67 | TSHR (0.34) | TSHRMAPK1 | |
| SCHEMBL5935626 | 0.67 | TSHR (0.34) | TSHRMAPK1 | |
| SCHEMBL1868541 | 0.61 | — | — | |
| SCHEMBL12203179 | 0.60 | SCN1A (0.37) | ALDH1A1 | |
| SCHEMBL15606205 | 0.60 | SCN1A (0.37) | ALDH1A1 | |
| SCHEMBL12769033 | 0.60 | SCN1A (0.37) | ALDH1A1 |
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-8841287-B2 | Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2014-09-23 | — | — | US | claimed |
| EP-0188235-B1 | PRODUCTION OF OPTICALLY PURE ORGANOBORANES | Aldrich Chemical Company, Inc. (US) | 1991-12-11 | — | — | EP | disclosed |