Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1650609 | 0.74 | — | — | |
| SCHEMBL9536065 | 0.74 | KMT2A (0.38) | SMN1; SMN2TAAR1CYP3A4CYP2C9KMT2A | |
| SCHEMBL7603557 | 0.73 | MEN1 (0.33) | TAAR1KMT2AMEN1CCNE1CDK2 | |
| SCHEMBL752460 | 0.69 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP3A4CYP2C9KMT2AMEN1 | |
| SCHEMBL11102141 | 0.68 | — | — | |
| SCHEMBL14205589 | 0.68 | ALDH1A1 (0.51) | CYP3A4CYP2C9CTSKKMT2AMEN1 | |
| SCHEMBL916741 | 0.68 | — | — | |
| SCHEMBL1802391 | 0.67 | KMT2A (0.39) | SMN1; SMN2TAAR1CYP3A4CYP2C9KMT2A | |
| Propionic Acid SCHEMBL28171215 | 0.67 | FFAR3 (0.40) | SMN1; SMN2TAAR1CYP3A4CYP2C9KMT2A | |
| SCHEMBL7045074 | 0.65 | — | — |
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 |