Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | TFEB | P19484 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL4601971 | 1.00 | ABCG2 (0.49) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL17874170 | 0.87 | ABCG2 (0.43) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL2434683 | 0.85 | KDM4E (0.54) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL2434694 | 0.85 | KDM4E (0.54) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL28267297 | 0.83 | ABCG2 (0.69) | ABCG2NFE2L2MAPTALDH1A1KMT2A | |
| SCHEMBL3883365 | 0.83 | FDPS (0.49) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL26402804 | 0.83 | ABCG2 (0.69) | ABCG2NFE2L2MAPTALDH1A1KMT2A | |
| SCHEMBL3886226 | 0.83 | FDPS (0.49) | ABCG2NFE2L2MAPTALDH1A1MEN1 | |
| SCHEMBL15669138 | 0.80 | FDPS (0.56) | ABCG2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL12035658 | 0.80 | FDPS (0.56) | ABCG2MAPTALDH1A1MEN1KMT2A |
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-1940814-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007046075-A1 | PIPERAZINE DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-04-26 | — | — | WO | disclosed |