Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7142025 | 1.00 | AKR1C3 (0.42) | AKR1C3CAPN1CNR2MAOBNQO2 | |
| SCHEMBL7142028 | 1.00 | AKR1C3 (0.42) | AKR1C3CAPN1CNR2MAOBNQO2 | |
| SCHEMBL7139094 | 0.86 | MAOB (0.42) | MAOB | |
| SCHEMBL7139096 | 0.86 | MAOB (0.42) | MAOB | |
| SCHEMBL7143682 | 0.85 | MAOB (0.52) | MAOBRELAMAPT | |
| SCHEMBL7143686 | 0.85 | MAOB (0.52) | MAOBRELAMAPT | |
| SCHEMBL7140078 | 0.83 | TUBB4A (0.40) | MAOB | |
| SCHEMBL7136432 | 0.83 | MAOB (0.46) | MAOBMAPT | |
| SCHEMBL7140080 | 0.83 | TUBB4A (0.40) | MAOB | |
| SCHEMBL7136433 | 0.83 | MAOB (0.46) | MAOBMAPT |
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 |