Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6677713 | 0.88 | CA1 (0.43) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6554075 | 0.88 | KMT2A (0.45) | TSHRCA1CA2CA9MEN1 | |
| SCHEMBL6540091 | 0.87 | TSHR (0.47) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6541135 | 0.86 | TSHR (0.50) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6544777 | 0.86 | NAMPT (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6539542 | 0.86 | TSHR (0.47) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6540879 | 0.86 | USP2 (0.47) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6541141 | 0.85 | NLRP3 (0.49) | TSHRMEN1KMT2AALDH1A1NLRP3 | |
| SCHEMBL6540929 | 0.84 | TSHR (0.47) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6810067 | 0.82 | HSD17B10 (0.46) | TSHRCA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |