Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Butyrolactone SCHEMBL25427151 | 0.90 | CA1 (0.67) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL7686323 | 0.90 | CA1 (0.67) | CA1CA9LMNAALDH1A1TP53 | |
| Tetrachloroethylene SCHEMBL6408953 | 0.88 | CA1 (0.64) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL10999881 | 0.86 | CA1 (0.61) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL3638548 | 0.86 | CA1 (0.61) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL28099382 | 0.86 | CA1 (0.61) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL9421121 | 0.84 | — | — | |
| Butyrolactone SCHEMBL29433925 | 0.84 | — | — | |
| Butyrolactone SCHEMBL1271043 | 0.84 | CA1 (0.82) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL27720055 | 0.84 | CA1 (0.82) | CA1CA9LMNAALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1455809-A2 | INHIBITORS OF HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2004-09-15 | — | — | EP | disclosed |
| EP-1337550-A2 | HEPATITIS C TRIPEPTIDE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2003053349-A2 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |
| WO-2002060926-A2 | HEPATITIS C TRIPEPTIDE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |