Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14042114 | 0.88 | MAOB (0.51) | MAOBPTGS2ALDH1A1CYP1A2AKR1C3 | |
| SCHEMBL11700845 | 0.85 | MAOB (0.63) | MAOBPTGS2ALDH1A1CYP1A2AKR1C3 | |
| SCHEMBL11700837 | 0.85 | MAOB (0.63) | MAOBPTGS2ALDH1A1CYP1A2AKR1C3 | |
| SCHEMBL11121090 | 0.83 | MAOB (0.61) | MAOBPTGS2AKR1C3ENPP2AKR1C2 | |
| SCHEMBL4802625 | 0.83 | MAOB (0.61) | MAOBPTGS2AKR1C3CA2AKR1C2 | |
| SCHEMBL6848105 | 0.83 | CA2 (0.57) | ALDH1A1CA2PELI1 | |
| SCHEMBL27827422 | 0.83 | TDP1 (0.52) | MAOBALDH1A1CA2PELI1 | |
| SCHEMBL11121092 | 0.83 | MAOB (0.61) | MAOBPTGS2AKR1C3ENPP2AKR1C2 | |
| SCHEMBL4914259 | 0.83 | MAOB (0.61) | MAOBPTGS2AKR1C3CA2AKR1C2 | |
| SCHEMBL4327234 | 0.82 | AKR1C3 (0.51) | MAOBPTGS2ALDH1A1CYP1A2AKR1C3 |
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-2521715-A1 | PIPERAZINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2012-11-14 | — | — | EP | disclosed |
| WO-2011083413-A1 | PIPERAZINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-07-14 | — | — | WO | disclosed |