Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 6/20 | 0.31 |
| ▸ | HTR2C | P28335 | 6/20 | 0.31 |
| ▸ | HTR2B | P41595 | 6/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29587352 | 0.77 | HTR2A (0.36) | HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL1698200 | 0.70 | KDM4E (0.39) | HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL1698216 | 0.69 | HDAC1 (0.40) | — | |
| SCHEMBL1760687 | 0.63 | ALDH1A1 (0.47) | — | |
| SCHEMBL12475384 | 0.63 | ALDH1A1 (0.47) | — | |
| SCHEMBL30631702 | 0.62 | — | — | |
| SCHEMBL3835964 | 0.62 | OPRL1 (0.36) | — | |
| SCHEMBL375061 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL15454179 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL29886257 | 0.61 | ALDH1A1 (0.44) | — |
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-8003783-B2 | Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer | STERIX LIMITED (GB) | 2011-08-23 | — | — | US | disclosed |