Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | FABP1 | P07148 | 1/20 | 0.49 |
| ▸ | FABP6 | P51161 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18233631 | 0.90 | CYP2C19 (0.54) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL19091376 | 0.85 | CYP2C19 (0.53) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL3265804 | 0.84 | CYP1A2 (0.70) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL20988152 | 0.83 | CYP2C19 (0.54) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL1837886 | 0.81 | CYP1A2 (0.66) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL317566 | 0.80 | ALDH1A1 (0.60) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL1344396 | 0.79 | CYP2C19 (0.62) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| Hydrochloric Acid SCHEMBL8177967 | 0.78 | CYP2C19 (0.61) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL7442415 | 0.77 | CYP2C19 (0.56) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL28657675 | 0.77 | CYP2C19 (0.56) | CYP2C19CYP1A2CXCR4FABP1FABP6 |
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-2022112352-A1 | HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-06-02 | — | — | WO | disclosed |