Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.46 |
| ▸ | PRKCG | P05129 | 3/20 | 0.46 |
| ▸ | PRKCB | P05771 | 3/20 | 0.46 |
| ▸ | PRKCA | P17252 | 3/20 | 0.46 |
| ▸ | PRKCH | P24723 | 3/20 | 0.46 |
| ▸ | PRKCI | P41743 | 3/20 | 0.46 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.46 |
| ▸ | PRKD1 | Q15139 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6967123 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL6967394 | 0.87 | LMNA (0.50) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6977470 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6977825 | 0.82 | KDM4E (0.43) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6963108 | 0.81 | HTR6 (0.68) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6962809 | 0.81 | HTR6 (0.44) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6963085 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6967362 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6976861 | 0.77 | HTR6 (0.53) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 | |
| SCHEMBL6966099 | 0.77 | HTR6 (0.48) | CYP3A4CYP2D6LMNACYP1A2CYP2C19 |
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-0855391-B1 | NOVEL ISOQUINOLINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2003-10-15 | — | — | EP | disclosed |
| US-5959107-A | Isoquinoline derivatives | SNOW BRAND MILK PRODUCTS CO., LTD. (JP) | 1999-09-28 | — | — | US | disclosed |
| EP-0855391-A1 | NOVEL ISOQUINOLINE DERIVATIVES | SNOW BRAND MILK PRODUCTS CO., LTD. (JP) | 1998-07-29 | — | — | EP | disclosed |