Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124562 | 0.81 | KDM4E (0.52) | HDAC6KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL1124180 | 0.80 | KDM4E (0.62) | HDAC6KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL1124352 | 0.77 | POLB (0.53) | HDAC6KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL13857234 | 0.75 | MMP1 (0.73) | HDAC6HDAC3HDAC1HDAC2ADAM17 | |
| SCHEMBL2611120 | 0.75 | ALDH1A1 (0.55) | TP53HDAC6KDM4EALDH1A1LMNA | |
| SCHEMBL1124537 | 0.75 | ALDH1A1 (0.46) | TP53HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1124531 | 0.75 | ALDH1A1 (0.46) | TP53HDAC6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1124162 | 0.74 | HDAC1 (0.53) | HDAC6KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL2334536 | 0.74 | HDAC1 (0.53) | HDAC6KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL1124356 | 0.73 | HDAC3 (0.50) | HDAC6KDM4EHDAC3HDAC1HDAC2 |
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-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |