Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EED | O75530 | 1/20 | 0.31 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.31 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 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 | |
|---|---|---|---|---|
| SCHEMBL18191201 | 0.81 | CYP2C19 (0.38) | CETPCYP2C19TSHRMEN1KMT2A | |
| SCHEMBL27930089 | 0.79 | CYP4F2 (0.39) | CYP4F2CYP4A11MAPTKDM4EATM | |
| SCHEMBL17155 | 0.78 | CYP4F2 (0.56) | CYP4F2CYP4A11MAPTL3MBTL1CETP | |
| SCHEMBL17535 | 0.78 | CYP4F2 (0.52) | CYP4F2CYP4A11MAPTL3MBTL1CETP | |
| SCHEMBL17857 | 0.76 | CYP4F2 (0.55) | CYP4F2CYP4A11MAPTL3MBTL1CETP | |
| SCHEMBL5728819 | 0.75 | CYP4F2 (0.36) | CYP4F2CYP4A11MAPTKDM4EATM | |
| SCHEMBL17106201 | 0.75 | CYP4F2 (0.36) | CYP4F2CYP4A11MAPTKDM4EATM | |
| SCHEMBL17106199 | 0.75 | CYP4F2 (0.36) | CYP4F2CYP4A11MAPTKDM4EATM | |
| SCHEMBL9631574 | 0.74 | NPSR1 (0.36) | CYP4F2CYP4A11KDM4ECYP2C19CYP3A4 | |
| SCHEMBL2285823 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5114960-A | Rheumatoid arthritis; antiinflammatory and antishock agents; gastrointestinal and respiratory system disorders | HOFFMANN-LA ROCHE INC. (US) | 1992-05-19 | — | — | US | disclosed |
| EP-0409273-A2 | Substituted isoxazole and isothiazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-23 | — | — | EP | disclosed |