Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6588080 | 0.96 | HPGD (0.41) | HPGDALDH1A1GAATSHRMEN1 | |
| SCHEMBL6592606 | 0.81 | PDK1 (0.46) | HPGDALDH1A1GAATSHRMEN1 | |
| SCHEMBL6586318 | 0.77 | HPGD (0.65) | HPGDALDH1A1GAATSHRMEN1 | |
| SCHEMBL9436970 | 0.77 | ATM (0.35) | HPGDALDH1A1GAATSHRMEN1 | |
| SCHEMBL5098817 | 0.76 | NPC1 (0.50) | HPGDALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL9709462 | 0.74 | MEN1 (0.42) | HPGDALDH1A1TSHRMEN1KMT2A | |
| Acetic Acid SCHEMBL6588083 | 0.74 | HPGD (0.64) | HPGDALDH1A1GAATSHRMEN1 | |
| SCHEMBL11215650 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAATSHRMEN1KMT2A | |
| SCHEMBL5944024 | 0.72 | ALDH1A1 (0.33) | ALDH1A1TSHRRAB9ANPC1 | |
| SCHEMBL11235233 | 0.72 | HDAC8 (0.42) | HPGDGAATSHRMEN1KMT2A |
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 |