Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.51 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2334536 | 0.88 | HDAC1 (0.53) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124162 | 0.88 | HDAC1 (0.53) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124180 | 0.87 | KDM4E (0.62) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL13857234 | 0.83 | MMP1 (0.73) | HDAC1HDAC3HDAC2HDAC10HDAC11 | |
| SCHEMBL1124352 | 0.82 | POLB (0.53) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124535 | 0.81 | TP53 (0.52) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124356 | 0.78 | HDAC3 (0.50) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL2374022 | 0.75 | NAMPT (0.50) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL1124141 | 0.75 | NAMPT (0.50) | KDM4ESMN1; SMN2HDAC1HDAC3HDAC2 | |
| SCHEMBL13857128 | 0.75 | MMP1 (0.73) | KDM4EHDAC1HDAC3HDAC2MMP1 |
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 1 patent. 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 |