Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6007678 | 0.99 | KDM4E (0.53) | KDM4EABCB1MEN1KMT2AMCHR1 | |
| Hydrochloric Acid SCHEMBL6586295 | 0.89 | KMT2A (0.54) | ABCB1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL3991771 | 0.87 | DRD3 (0.55) | ABCB1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL3991767 | 0.87 | DRD3 (0.55) | ABCB1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL6587232 | 0.87 | SIGMAR1 (0.51) | ABCB1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL29773210 | 0.87 | DRD3 (0.55) | ABCB1MEN1KMT2ADRD2DRD3 | |
| SCHEMBL6589095 | 0.86 | KMT2A (0.50) | KDM4EABCB1MEN1KMT2ADRD2 | |
| Phosphoric Acid SCHEMBL3996517 | 0.85 | DRD3 (0.53) | ABCB1MEN1KMT2ADRD2DRD3 | |
| Phosphoric Acid SCHEMBL3996528 | 0.85 | DRD3 (0.53) | ABCB1MEN1KMT2ADRD2DRD3 | |
| Oxalic Acid SCHEMBL6590602 | 0.85 | KDM4E (0.51) | KDM4EABCB1MEN1KMT2ACYP1A2 |
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 | claimed |
| 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 | claimed |
| EP-1186601-A1 | NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2002-03-13 | — | — | EP | claimed |