Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16499584 | 0.79 | ACHE (0.35) | ACHESRD5A1ESR1ESR2EP300 | |
| SCHEMBL12821396 | 0.79 | ACHE (0.35) | ACHESRD5A1ESR1ESR2EP300 | |
| SCHEMBL16499253 | 0.78 | SOD1 (0.32) | EP300SOD1 | |
| SCHEMBL12821421 | 0.78 | SOD1 (0.34) | EP300SOD1USP2 | |
| SCHEMBL12825604 | 0.77 | ACHE (0.37) | ACHEEP300SOD1ALDH1A1CYP19A1 | |
| SCHEMBL16499548 | 0.76 | MAPK1 (0.33) | SOD1ALDH1A1ALOX15MAPK1 | |
| SCHEMBL16499573 | 0.75 | OPRM1 (0.45) | — | |
| SCHEMBL13811695 | 0.75 | EP300 (0.39) | MALT1ESR1ESR2EP300SOD1 | |
| SCHEMBL15223566 | 0.75 | EP300 (0.39) | MALT1ESR1ESR2EP300SOD1 | |
| SCHEMBL16499255 | 0.75 | AKR1B1 (0.34) | SOD1USP2BACE1 |
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-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |