Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL28900560 | 0.98 | CYP2D6 (0.50) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL4609118 | 0.91 | CYP2D6 (0.52) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL2001722 | 0.85 | CYP2D6 (0.48) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL12743776 | 0.82 | CYP2D6 (0.59) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL525095 | 0.79 | CYP2D6 (0.56) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL7682168 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL3217573 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL1874710 | 0.79 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL1573619 | 0.79 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1LMNASMN1; SMN2 | |
| SCHEMBL1996527 | 0.79 | CYP2D6 (0.69) | CYP2D6CYP3A4NPC1LMNASMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-0577712-B1 | FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES | DU PONT (US) | 1998-07-29 | — | — | EP | disclosed |