Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMT1 | P30419 | 1/20 | 0.70 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.68 |
| ▸ | TGM2 | P21980 | 1/20 | 0.63 |
| ▸ | MMP1 | P03956 | 4/20 | 0.62 |
| ▸ | MMP2 | P08253 | 4/20 | 0.62 |
| ▸ | MMP9 | P14780 | 4/20 | 0.62 |
| ▸ | EGFR | P00533 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL26034043 | 1.00 | NMT1 (0.70) | NMT1DDAH1TGM2MMP1MMP2 | |
| SCHEMBL14578749 | 0.90 | NMT1 (0.85) | NMT1DDAH1TGM2MMP1MMP2 | |
| SCHEMBL5175946 | 0.84 | MAPT (0.67) | NMT1MMP1MMP2MMP9ALDH1A1 | |
| SCHEMBL3200856 | 0.84 | MAPT (0.67) | NMT1MMP1MMP2MMP9ALDH1A1 | |
| SCHEMBL5177468 | 0.82 | NMT1 (1.00) | NMT1DDAH1TGM2MMP1MMP2 | |
| SCHEMBL20280569 | 0.82 | TGM2 (0.67) | NMT1DDAH1TGM2LMNAMAPT | |
| SCHEMBL29246294 | 0.82 | TGM2 (0.61) | NMT1DDAH1TGM2MMP1MMP2 | |
| SCHEMBL31501449 | 0.82 | MAPT (0.55) | NMT1DDAH1MMP1MMP2MMP9 | |
| SCHEMBL15217981 | 0.82 | NMT1 (0.73) | NMT1DDAH1TGM2MMP1MMP2 | |
| SCHEMBL5177395 | 0.82 | NMT1 (1.00) | NMT1DDAH1TGM2MMP1MMP2 |
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 |