Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958271 | 0.84 | LMNA (0.42) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6962927 | 0.83 | LMNA (0.51) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6968806 | 0.83 | LMNA (0.51) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6968741 | 0.82 | KDM4E (0.57) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6973375 | 0.80 | LMNA (0.54) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6958264 | 0.79 | CYP3A4 (0.53) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6963335 | 0.78 | LMNA (0.46) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6963265 | 0.76 | HTT (0.47) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6972315 | 0.76 | LMNA (0.46) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL6965245 | 0.74 | LMNA (0.42) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 |
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 |