Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 11/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | ATF1 | P18846 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8808399 | 0.90 | RAB9A (0.51) | NR1H4PDK1PDK2PDK3PDK4 | |
| SCHEMBL3049960 | 0.85 | PDK1 (0.52) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL9754183 | 0.85 | PDK1 (0.43) | NR1H4PDK1PDK2PDK3PDK4 | |
| SCHEMBL9539254 | 0.80 | RAB9A (0.50) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL27323811 | 0.77 | LMNA (0.41) | RAB9AMLYCDNPC1GMNNLMNA | |
| SCHEMBL5071947 | 0.74 | NPC1 (0.55) | RAB9ANPC1GMNNLMNATP53 | |
| SCHEMBL3059654 | 0.73 | GAA (0.50) | NR1H4PDK1PDK2PDK3PDK4 | |
| SCHEMBL5071880 | 0.70 | RAB9A (0.44) | RAB9AMLYCDNPC1GMNNLMNA | |
| SCHEMBL8811883 | 0.69 | SMN1; SMN2 (0.59) | RAB9AMLYCDNPC1GMNNLMNA | |
| SCHEMBL1713235 | 0.69 | TSPO (0.51) | RAB9ANPC1LMNAHTTSMN1; SMN2 |
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-1991017748-A1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-11-28 | — | — | WO | disclosed |