Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | THRB | P10828 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15420995 | 1.00 | CYP3A4 (0.48) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL9564690 | 1.00 | CYP3A4 (0.48) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL9593444 | 1.00 | CYP3A4 (0.48) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL14568421 | 0.85 | CYP3A4 (0.46) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL6512353 | 0.77 | CYP3A4 (0.52) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL6512348 | 0.77 | CYP3A4 (0.52) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL25246184 | 0.75 | NLRP3 (0.61) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL13895495 | 0.75 | CA12 (0.33) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL13163828 | 0.73 | CYP3A4 (0.59) | CYP3A4MAPTALDH1A1CYP2C19TSHR | |
| SCHEMBL16379575 | 0.73 | CYP3A4 (0.49) | CYP3A4MAPTALDH1A1CYP2C19TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002511881-A | — | — | 2002-04-16 | — | — | JP | claimed |
| EP-0996439-A1 | $g(b)-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 2000-05-03 | — | — | EP | claimed |
| WO-1999002150-A1 | β-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-21 | — | — | WO | claimed |
| US-6084120-A | ACTIVE AGAINST CHLOROQUINE-SENSITIVE PATIENTS AND AGAINST CHLOROQUINE-RESISTANT MALARIA PATHOGENS; PROPHYLAXIS AND TREATMENT; E.G., A 3 METHOXY-2-(2-(4-PHENYLBUTA-1,3-DIEN-1-YL)PHENYL)ACRYLIC ACID | HOFFMANN-LA ROCHE INC. (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0996439-A1 | $g(b)-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 2000-05-03 | — | — | EP | disclosed |
| WO-1999002150-A1 | β-ALKOXYACRYLATES AGAINST MALARIA | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-21 | — | — | WO | disclosed |