Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SULT1E1 | P49888 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16499520 | 0.83 | SIGMAR1 (0.41) | POLA1CYP3A4USP2GRIN1GRIN2A | |
| SCHEMBL12813386 | 0.80 | SIGMAR1 (0.44) | CYP3A4USP2HSP90AA1KDM4EMEN1 | |
| SCHEMBL12821579 | 0.76 | SLC6A4 (0.45) | POLA1CYP3A4SLC6A2HSP90AA1MAPK1 | |
| SCHEMBL12825604 | 0.69 | ACHE (0.37) | CYP3A4KDM4ESULT1E1ALDH1A1CYP2C19 | |
| SCHEMBL24591878 | 0.68 | LMNA (0.65) | POLA1CYP3A4NR1H2NR1H3 | |
| SCHEMBL12825623 | 0.68 | TRPA1 (0.35) | CYP3A4USP2HSP90AA1KDM4EMEN1 | |
| SCHEMBL16499264 | 0.68 | TRPA1 (0.35) | CYP3A4USP2HSP90AA1KDM4EMEN1 | |
| SCHEMBL12234382 | 0.66 | PIK3CB (0.48) | POLA1CYP3A4USP2HSP90AA1KDM4E | |
| SCHEMBL806957 | 0.66 | POLA1 (0.76) | POLA1CYP3A4HSP90AA1MAPK1ALDH1A1 | |
| SCHEMBL11818878 | 0.66 | SIGMAR1 (0.42) | SLC6A2GRIN1GRIN2AOPRM1OPRD1 |
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-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |