Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141550 | 1.00 | MAOB (0.43) | MAOBCYP1A2CYP2C9MAOANFE2L2 | |
| SCHEMBL7139096 | 0.88 | MAOB (0.42) | MAOBCYP1A2CYP2C9MAOANFE2L2 | |
| SCHEMBL7139094 | 0.88 | MAOB (0.42) | MAOBCYP1A2CYP2C9MAOANFE2L2 | |
| SCHEMBL7136433 | 0.87 | MAOB (0.46) | MAOBCYP1A2CYP2C9MAOANFE2L2 | |
| SCHEMBL7136432 | 0.87 | MAOB (0.46) | MAOBCYP1A2CYP2C9MAOANFE2L2 | |
| SCHEMBL7141751 | 0.86 | AKR1C2 (0.44) | MAOBNFE2L2AKR1C3RELAMEN1 | |
| SCHEMBL7141749 | 0.86 | AKR1C2 (0.44) | MAOBNFE2L2AKR1C3RELAMEN1 | |
| SCHEMBL7144373 | 0.83 | MAOB (0.44) | MAOBMAOANFE2L2MEN1KMT2A | |
| SCHEMBL7144375 | 0.83 | MAOB (0.44) | MAOBMAOANFE2L2MEN1KMT2A | |
| SCHEMBL7142022 | 0.82 | AKR1C3 (0.42) | MAOBAKR1C3RELA |
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 |