Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.55 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 3/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124352 | 0.90 | POLB (0.53) | KDM4ESMN1; SMN2POLBHDAC1HDAC3 | |
| SCHEMBL1124562 | 0.87 | KDM4E (0.52) | KDM4ESMN1; SMN2POLBHDAC1HDAC3 | |
| SCHEMBL2334536 | 0.84 | HDAC1 (0.53) | KDM4ESMN1; SMN2POLBHDAC1HDAC3 | |
| SCHEMBL1124162 | 0.84 | HDAC1 (0.53) | KDM4ESMN1; SMN2POLBHDAC1HDAC3 | |
| SCHEMBL13857234 | 0.83 | MMP1 (0.73) | POLBHDAC1HDAC3HDAC2ADAM17 | |
| SCHEMBL1124535 | 0.80 | TP53 (0.52) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124356 | 0.79 | HDAC3 (0.50) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL29258167 | 0.78 | NAMPT (0.57) | KDM4EPOLBHDAC1HDAC3HDAC2 | |
| SCHEMBL29258164 | 0.78 | NAMPT (0.57) | KDM4EPOLBHDAC1HDAC3HDAC2 | |
| SCHEMBL15682845 | 0.76 | HDAC6 (0.54) | SMN1; SMN2HDAC1HDAC3HDAC2ADAM17 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |