Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | SNCA | P37840 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143682 | 1.00 | MAOB (0.52) | MAOBMAPTCYP2D6MAOACYP2C9 | |
| SCHEMBL7139096 | 0.91 | MAOB (0.42) | MAOBMAOACYP2C9CYP2C19TRPA1 | |
| SCHEMBL7139094 | 0.91 | MAOB (0.42) | MAOBMAOACYP2C9CYP2C19TRPA1 | |
| SCHEMBL7140080 | 0.88 | TUBB4A (0.40) | MAOBMAOATRPA1SNCAMEN1 | |
| SCHEMBL7136432 | 0.88 | MAOB (0.46) | MAOBMAPTCYP2D6MAOACYP2C9 | |
| SCHEMBL7140078 | 0.88 | TUBB4A (0.40) | MAOBMAOATRPA1SNCAMEN1 | |
| SCHEMBL7136433 | 0.88 | MAOB (0.46) | MAOBMAPTCYP2D6MAOACYP2C9 | |
| SCHEMBL7135393 | 0.85 | TRPV1 (0.41) | MAOBMAPTMEN1KMT2ANPC1 | |
| SCHEMBL7142022 | 0.85 | AKR1C3 (0.42) | MAOBMAPTRELA | |
| SCHEMBL7135398 | 0.85 | TRPV1 (0.41) | MAOBMAPTMEN1KMT2ANPC1 |
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 |