Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7135382 | 1.00 | TRPA1 (0.42) | TRPA1TRPM8CYP1A1CYP1B1MAOB | |
| SCHEMBL7136435 | 0.91 | TRPA1 (0.42) | TRPA1TRPM8CYP1A1CYP1B1MAOB | |
| SCHEMBL7135398 | 0.89 | TRPV1 (0.41) | MAOBCYP1A2NR1H3TRPV1 | |
| SCHEMBL7135393 | 0.89 | TRPV1 (0.41) | MAOBCYP1A2NR1H3TRPV1 | |
| SCHEMBL7144373 | 0.88 | MAOB (0.44) | MAOBNFE2L2 | |
| SCHEMBL7144375 | 0.88 | MAOB (0.44) | MAOBNFE2L2 | |
| SCHEMBL7139096 | 0.88 | MAOB (0.42) | TRPA1MAOBNFE2L2CYP1A2HDAC3 | |
| SCHEMBL7139094 | 0.88 | MAOB (0.42) | TRPA1MAOBNFE2L2CYP1A2HDAC3 | |
| SCHEMBL7140080 | 0.87 | TUBB4A (0.40) | TRPA1MAOBNFE2L2 | |
| SCHEMBL7140078 | 0.87 | TUBB4A (0.40) | TRPA1MAOBNFE2L2 |
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 3 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 | 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 | claimed |
| EP-0996439-B1 | BETA-ALKOXYACRYLATES AGAINST MALARIA | HOFFMANN LA ROCHE (CH) | 2003-01-08 | — | — | EP | disclosed |