Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ESRRB | O95718 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838067 | 0.81 | AAK1 (0.33) | — | |
| SCHEMBL7191073 | 0.80 | SMN1; SMN2 (0.32) | SMN1; SMN2L3MBTL1POLBMAPK1CA9 | |
| SCHEMBL5837659 | 0.77 | — | — | |
| SCHEMBL7179298 | 0.73 | L3MBTL1 (0.33) | SMN1; SMN2L3MBTL1POLBMAPK1LMNA | |
| SCHEMBL7187916 | 0.72 | SLC1A1 (0.36) | L3MBTL1SLC1A1TSHR | |
| SCHEMBL24483651 | 0.65 | LMNA (0.46) | CA12CA7CA9CA14LMNA | |
| SCHEMBL7648549 | 0.64 | CTRB1 (0.38) | KDM4EALDH1A1 | |
| SCHEMBL16063694 | 0.64 | F2 (0.38) | SMN1; SMN2POLBCA12CA7CA9 | |
| SCHEMBL5838358 | 0.63 | ALDH1A1 (0.35) | SMN1; SMN2L3MBTL1MAPK1LMNAALDH1A1 | |
| SCHEMBL28970084 | 0.63 | MTNR1A (0.53) | POLBCA12CA7CA9CA14 |
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 |