Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 13/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL5682208 | 0.86 | AKR1C3 (0.40) | SIRT2 | |
| SCHEMBL1414837 | 0.85 | SIRT2 (0.33) | SIRT2 | |
| SCHEMBL5678248 | 0.85 | AKR1C3 (0.44) | SIRT2 | |
| SCHEMBL5751662 | 0.82 | ALOX5 (0.44) | SIRT2 | |
| SCHEMBL7809863 | 0.79 | PTGS2 (0.36) | SIRT2 | |
| SCHEMBL5750942 | 0.78 | KMT2A (0.33) | SIRT2 | |
| SCHEMBL7594682 | 0.77 | SIRT2 (0.41) | CA12CA1CA9SIRT2 | |
| SCHEMBL1414804 | 0.77 | CYP17A1 (0.38) | CA12CA1CA9SIRT2 | |
| SCHEMBL21636129 | 0.76 | SIRT2 (0.35) | SIRT2 | |
| SCHEMBL4024513 | 0.76 | CA12 (0.38) | CA12CA1CA9SIRT2HSP90AA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |