Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9233919 | 0.74 | TSHR (0.62) | SLC6A3SLC6A2TSHRLMNAHPGD | |
| SCHEMBL8648768 | 0.73 | CA1 (0.52) | SLC6A3SLC6A2SLC6A4LMNAHPGD | |
| SCHEMBL14505830 | 0.72 | HPGD (0.63) | SLC6A3SLC6A2TSHRLMNAHPGD | |
| Acetone SCHEMBL28740549 | 0.71 | TSHR (0.71) | SLC6A3SLC6A2TSHRLMNAALDH1A1 | |
| Acetic Acid SCHEMBL4466285 | 0.71 | TSHR (0.71) | SLC6A3SLC6A2TSHRLMNAALDH1A1 | |
| Acetic Acid SCHEMBL28710458 | 0.71 | TSHR (0.71) | SLC6A3SLC6A2TSHRLMNAALDH1A1 | |
| SCHEMBL6667451 | 0.71 | LOXL2 (0.64) | TSHRLMNAHPGDALDH1A1 | |
| SCHEMBL5145660 | 0.71 | TSHR (0.58) | SLC6A3SLC6A2TSHRLMNAHPGD | |
| SCHEMBL6999838 | 0.70 | SLC6A3 (0.85) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL13469340 | 0.70 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644384-A2 | PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR | Bristol-Myers Squibb Company (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2004052310-A2 | PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-24 | — | — | WO | disclosed |