Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8810359 | 0.99 | MAPK1 (0.51) | MAPK1HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL9396212 | 0.81 | ALDH1A1 (0.51) | MAPK1HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL9392426 | 0.77 | LMNA (0.53) | HTTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9392479 | 0.77 | HTT (0.51) | MAPK1HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL9392485 | 0.73 | LMNA (0.49) | HTTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9395512 | 0.73 | LMNA (0.49) | HTTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9396011 | 0.72 | RAB9A (0.55) | HTTLMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9391140 | 0.72 | RAB9A (0.48) | MAPK1HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL9393272 | 0.71 | POLB (0.53) | MAPK1LMNAALDH1A1POLBKDM4E | |
| SCHEMBL9392570 | 0.71 | RAB9A (0.65) | MAPK1HTTLMNACYP1A2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1051074-C | Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use | HOECHST AG (DE) | 2000-04-05 | — | — | CN | disclosed |
| EP-0527736-B1 | ISOXAZOLE-4-CARBOXAMIDES AND HYDROXYALKYLIDENE-CYANOACETAMIDES, DRUGS CONTAINING THESE COMPOUNDS AND USE OF SUCH DRUGS | HOECHST AG (DE) | 1997-04-16 | — | — | EP | disclosed |
| 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 |