Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NCS1 | P62166 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7142991 | 1.00 | KDM4E (0.38) | KDM4EHPGDCYP1A1CYP1B1KCNH2 | |
| SCHEMBL7136425 | 0.89 | MAOB (0.41) | KDM4ECFTRGAAHTTNCS1 | |
| SCHEMBL7136429 | 0.89 | MAOB (0.41) | KDM4ECFTRGAAHTTNCS1 | |
| SCHEMBL7136772 | 0.86 | NFE2L2 (0.44) | KCNH2MAPT | |
| SCHEMBL7136362 | 0.86 | NFE2L2 (0.44) | KCNH2MAPT | |
| SCHEMBL7136435 | 0.85 | TRPA1 (0.42) | CYP1A1CYP1B1MAOB | |
| SCHEMBL7141978 | 0.84 | P2RX1 (0.36) | KDM4EHTTMAPTMAOB | |
| SCHEMBL7141976 | 0.84 | P2RX1 (0.36) | KDM4EHTTMAPTMAOB | |
| SCHEMBL7135427 | 0.83 | MAOB (0.43) | GAAMAPTMAOB | |
| SCHEMBL7133655 | 0.83 | MAOB (0.43) | GAAMAPTMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0996439-B1 | BETA-ALKOXYACRYLATES AGAINST MALARIA | HOFFMANN LA ROCHE (CH) | 2003-01-08 | — | — | EP | disclosed |
| 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 |