Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8589474 | 1.00 | ESR1 (0.40) | ESR1ESR2SRD5A1HDAC6HTR6 | |
| SCHEMBL12048687 | 1.00 | ESR1 (0.40) | ESR1ESR2SRD5A1HDAC6HTR6 | |
| SCHEMBL7034308 | 0.89 | ESR1 (0.40) | ESR1ESR2SRD5A1HTR6SLC6A4 | |
| SCHEMBL1339421 | 0.84 | ESR1 (0.59) | ESR1ESR2 | |
| SCHEMBL7037226 | 0.81 | PPARD (0.47) | SRD5A1 | |
| SCHEMBL7037211 | 0.81 | ESR1 (0.37) | ESR1ESR2SRD5A1PPARGPPARA | |
| SCHEMBL7041893 | 0.80 | HTR6 (0.50) | ESR1ESR2HTR6 | |
| SCHEMBL7039816 | 0.78 | ESR1 (0.60) | ESR1ESR2HTR6 | |
| SCHEMBL7153910 | 0.78 | ADRA2A (0.53) | ESR1ESR2 | |
| Fadolmidine SCHEMBL2641380 | 0.76 | ESR1 (0.59) | ESR1ESR2SLC6A4CYP11B1 |
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-7345065-B2 | Methods and compositions for alleviating pain | ALLERGAN, INC. (US) | 2008-03-18 | — | — | US | disclosed |