Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31322218 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL2763109 | 0.75 | KCNN4 (0.48) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL2639000 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL15721129 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL8794328 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL13610411 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL14707464 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| SCHEMBL13741253 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| Hydrochloric Acid SCHEMBL8795692 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KCNN4TSHRTAAR1MAPK1 | |
| Hydrochloric Acid SCHEMBL8795687 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KCNN4TSHRTAAR1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012075232-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME | TREVENA, INC. (US) | 2012-06-07 | — | — | WO | disclosed |