Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 2/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1382934 | 0.79 | KDM4E (0.42) | ALDH1A1KDM4EGAAGLASMN1; SMN2 | |
| SCHEMBL28549036 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAGLASMN1; SMN2 | |
| SCHEMBL28352941 | 0.66 | ALDH1A1 (0.41) | ALDH1A1KDM4EGAAGLATDP1 | |
| SCHEMBL1382642 | 0.64 | KDM4E (0.37) | ALDH1A1KDM4EGAAGLASMN1; SMN2 | |
| SCHEMBL1382313 | 0.64 | HK2 (0.37) | ALDH1A1KDM4EGAAGLASMN1; SMN2 | |
| SCHEMBL3617445 | 0.64 | MEN1 (0.69) | ALDH1A1CRHBPCRHR2TDP1SMN1; SMN2 | |
| SCHEMBL19332776 | 0.63 | TDP1 (0.38) | ALDH1A1KDM4ETDP1SMN1; SMN2MEN1 | |
| SCHEMBL11710283 | 0.61 | VCAM1 (0.58) | ALDH1A1KDM4ECRHBPCRHR2TDP1 | |
| SCHEMBL16098875 | 0.61 | VCAM1 (0.58) | ALDH1A1KDM4ECRHBPCRHR2TDP1 | |
| SCHEMBL1027644 | 0.60 | VCAM1 (0.57) | ALDH1A1GAACRHBPCRHR2TDP1 |
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 7 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 |
| EP-1667981-A4 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1667981-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030729-A1 | ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2005-04-07 | — | — | WO | disclosed |