Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 3/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564351 | 0.85 | HCN1 (0.40) | SCDSCD5SMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL9564357 | 0.78 | CYP2E1 (0.37) | RAB9ACYP1A2CYP2D6TP53CYP2A6 | |
| SCHEMBL12086020 | 0.76 | EPHX2 (0.48) | CYP2C19CYP2C9CYP3A4CYP1A2CYP2A6 | |
| SCHEMBL26846221 | 0.72 | HTT (0.51) | TSHRHTTKDM4EALDH1A1MAPT | |
| SCHEMBL9404417 | 0.72 | CYP2C19 (0.47) | SCDSCD5CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL7439823 | 0.71 | NPC1 (0.70) | SCDSCD5CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL9564359 | 0.70 | HCN1 (0.39) | CYP1A2CYP2D6TP53TSHRMAPK1 | |
| SCHEMBL12395812 | 0.70 | AURKA (0.51) | SCDSCD5CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL13363881 | 0.70 | CYP2A6 (0.48) | SCDSCD5CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL5355415 | 0.69 | SMN1; SMN2 (0.74) | SCDSCD5CYP2C19CYP2C9CYP3A4 |
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-0563686-A1 | Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation | BAYER AG (DE) | 1993-10-06 | — | — | EP | disclosed |