Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7182206 | 0.79 | MAPT (0.43) | HPGDMAPTSMN1; SMN2MGLLHSD17B10 | |
| SCHEMBL141775 | 0.69 | HPGD (0.50) | HPGDMAPTSMN1; SMN2MGLLHSD17B10 | |
| SCHEMBL10099509 | 0.67 | HPGD (0.41) | HPGDMAPTSMN1; SMN2MGLLHSD17B10 | |
| SCHEMBL5695276 | 0.65 | — | — | |
| SCHEMBL3092615 | 0.65 | — | — | |
| SCHEMBL5672126 | 0.65 | MAPT (0.45) | HPGDMAPTSMN1; SMN2MGLLHSD17B10 | |
| SCHEMBL5695273 | 0.65 | — | — | |
| SCHEMBL13271640 | 0.65 | — | — | |
| SCHEMBL8240702 | 0.65 | — | — | |
| SCHEMBL887229 | 0.65 | HPGD (0.39) | HPGDMAPTSMN1; SMN2MGLLHSD17B10 |
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-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 |