Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6586313 | 0.81 | HPGD (0.40) | RAB9AMEN1KMT2ANPC1HPGD | |
| SCHEMBL6592611 | 0.79 | HPGD (0.60) | RAB9AMEN1KMT2ANPC1TP53 | |
| Acetic Acid SCHEMBL6588080 | 0.78 | HPGD (0.41) | RAB9AMEN1KMT2ANPC1HPGD | |
| SCHEMBL9436970 | 0.74 | ATM (0.35) | RAB9AMEN1KMT2ANPC1HPGD | |
| SCHEMBL9436981 | 0.73 | HPGD (0.37) | HPGDALDH1A1 | |
| SCHEMBL14679109 | 0.72 | CA12 (0.51) | PDK1PDK2PDK3PDK4RAB9A | |
| SCHEMBL12569710 | 0.72 | TDP1 (0.56) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL5098817 | 0.71 | NPC1 (0.50) | RAB9AMEN1KMT2ANPC1CA1 | |
| SCHEMBL6158283 | 0.70 | LMNA (0.46) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL9415065 | 0.70 | HSP90AA1 (0.58) | PDK1PDK2PDK3PDK4MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1186601-B1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-6573279-B1 | Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the | ASTELLAS PHARMA INC. (JP) | 2003-06-03 | — | — | US | disclosed |
| EP-1186601-A1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2002-03-13 | — | — | EP | disclosed |