Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21569644 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP2D6RAB9ANPC1CYP3A4 | |
| SCHEMBL13408652 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP2D6RAB9ANPC1CYP3A4 | |
| SCHEMBL19002751 | 0.81 | PKM (0.63) | ALDH1A1HPGDGAA | |
| SCHEMBL14874212 | 0.81 | PKM (0.63) | ALDH1A1HPGDGAA | |
| SCHEMBL13287103 | 0.81 | GAA (0.68) | ALDH1A1HPGDGAA | |
| Oxalic Acid SCHEMBL9348857 | 0.77 | ITGB3 (0.52) | ALDH1A1CYP2D6RAB9ANPC1CYP3A4 | |
| SCHEMBL13162836 | 0.77 | ITGB3 (0.51) | ALDH1A1CYP2D6RAB9ANPC1CYP3A4 | |
| SCHEMBL15692586 | 0.76 | CYP2D6 (0.56) | ALDH1A1CYP2D6RAB9ANPC1CYP3A4 | |
| Iodide SCHEMBL10729531 | 0.76 | NAAA (0.54) | — | |
| Iodide SCHEMBL10541809 | 0.76 | NAAA (0.54) | — |
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-2018089695-A1 | TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE | DYNAVAX TECHNOLOGIES CORPORATION (US) | 2018-05-17 | — | — | WO | disclosed |