Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DUT | P33316 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5536890 | 0.93 | ALDH1A1 (0.40) | ALDH1A1TSHRTP53DUT | |
| SCHEMBL10702400 | 0.85 | TSHR (0.36) | ALDH1A1TSHRTP53DUT | |
| SCHEMBL30864486 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL10018323 | 0.84 | PAOX (0.41) | ALDH1A1TSHRDUT | |
| SCHEMBL1930904 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL8014066 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL7562345 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL9842173 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL4844799 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHR | |
| SCHEMBL4855131 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRDUT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156905-A | Deoxy epothilones and intermediates utilized in the process for preparing epothilones | NOVARTIS AG (CH) | 2000-12-05 | — | — | US | disclosed |
| US-6043372-A | USEFUL CHEMICAL INTERMEDIATES FOR ANTICARCINOGENIC EPITHILONES | NOVARTIS AG (CH) | 2000-03-28 | — | — | US | disclosed |
| US-5969145-A | Process for the production of epothilones and intermediate products within the process | NOVARTIS AG (CH) | 1999-10-19 | — | — | US | disclosed |
| EP-0923583-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | Novartis AG (CH) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998008849-A1 | METHOD FOR PRODUCING EPOTHILONES, AND INTERMEDIATE PRODUCTS OBTAINED DURING THE PRODUCTION PROCESS | NOVARTIS AKTIENGESELLSCHAFT (CH) | 1998-03-05 | — | — | WO | disclosed |