Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 7/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382313 | 0.84 | HK2 (0.37) | KDM4EALDH1A1GLAGAAGRIA4 | |
| SCHEMBL1382934 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1GLAGAAGRIA4 | |
| SCHEMBL28549036 | 0.72 | ALDH1A1 (0.46) | KDM4EALDH1A1GLAGAAGRIA4 | |
| SCHEMBL3624622 | 0.69 | KCNA5 (0.43) | KDM4EALDH1A1GLAGAAGRIA4 | |
| SCHEMBL3616335 | 0.67 | TACR1 (0.41) | KDM4EALDH1A1GLAGAAGRIA4 | |
| Phosphine SCHEMBL20815551 | 0.66 | HK2 (0.44) | KDM4EGAASMN1; SMN2MAOBLMNA | |
| SCHEMBL28352941 | 0.66 | ALDH1A1 (0.41) | KDM4EALDH1A1GLAGAAGRIA4 | |
| SCHEMBL1381272 | 0.64 | ALDH1A1 (0.40) | KDM4EALDH1A1GLAGAABRD4 | |
| SCHEMBL3625058 | 0.62 | TACR1 (0.46) | KDM4EALDH1A1GRIA4GRIA2SMN1; SMN2 | |
| SCHEMBL17924583 | 0.60 | PDE4B (0.46) | KDM4EALDH1A1GAASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-4824563-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| EP-1667981-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | claimed |
| EP-1667981-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | claimed |
| WO-2005030729-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | claimed |