Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838024 | 0.74 | — | — | |
| SCHEMBL7179667 | 0.74 | CYP2D6 (0.34) | — | |
| SCHEMBL7185923 | 0.72 | SMN1; SMN2 (0.34) | SLC1A1TSHRL3MBTL1 | |
| SCHEMBL5837322 | 0.69 | — | — | |
| SCHEMBL9244038 | 0.63 | TSHR (0.52) | SLC1A1TSHRL3MBTL1 | |
| SCHEMBL5837790 | 0.62 | — | — | |
| SCHEMBL16329096 | 0.62 | TSHR (0.50) | SLC1A1TSHRL3MBTL1 | |
| SCHEMBL83790 | 0.62 | TSHR (0.50) | SLC1A1TSHRL3MBTL1 | |
| SCHEMBL7645747 | 0.61 | — | — | |
| SCHEMBL3757520 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586615-B1 | Boron compounds such as 1-amino-3,3-difluoropropyl boronate pinacol ester used as intermediates for antagonists of serine proteases, leukocyte elastases, cathepsins, chymotrypsin and hepatitis virus enzyme inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-07-01 | — | — | US | disclosed |
| WO-2002054931-A2 | ALPHA-AMINOBORONIC ACIDS PREPARED BY NOVEL SYNTHETIC METHODS | BRISTOL MYERS SQUIBB COMPANY P (US) | 2002-07-18 | — | — | WO | disclosed |
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |