Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 8/20 | 0.44 |
| ▸ | ATF1 | P18846 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754183 | 0.90 | PDK1 (0.43) | RAB9APDK1ATF1NFKB1GAA | |
| SCHEMBL3049960 | 0.87 | PDK1 (0.52) | RAB9APDK1S1PR1S1PR3GAA | |
| SCHEMBL8808399 | 0.83 | RAB9A (0.51) | RAB9APDK1ATF1NFKB1GAA | |
| SCHEMBL9754181 | 0.80 | NR1H4 (0.43) | RAB9APDK1ATF1NFKB1GAA | |
| SCHEMBL27323811 | 0.76 | LMNA (0.41) | RAB9AGAATSHRNPC1ALDH1A1 | |
| SCHEMBL5071880 | 0.72 | RAB9A (0.44) | RAB9ATSHRNPC1ALDH1A1HTT | |
| SCHEMBL8810187 | 0.70 | TSHR (0.48) | RAB9AGAATSHRNPC1ALDH1A1 | |
| SCHEMBL3058600 | 0.69 | RAB9A (0.51) | RAB9APDK1ATF1NFKB1GAA | |
| SCHEMBL14300708 | 0.69 | CRHBP (0.43) | RAB9ANPC1JAK2ALDH1A1HTT | |
| SCHEMBL3061506 | 0.69 | RAB9A (0.55) | RAB9APDK1GAATSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527736-A1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS. | HOECHST AG (DE) | 1993-02-24 | — | — | EP | disclosed |