Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6963171 | 0.85 | AR (0.53) | HTTSLC22A12CHUKCYP3A4KDM4E | |
| SCHEMBL6961639 | 0.80 | MAPT (0.45) | HTTSLC22A12KDM4ELMNAALDH1A1 | |
| SCHEMBL6968741 | 0.78 | KDM4E (0.57) | HTTSLC22A12CYP3A4KDM4ELMNA | |
| SCHEMBL6973379 | 0.76 | CYP3A4 (0.51) | HTTCYP3A4KDM4ELMNACYP1A2 | |
| SCHEMBL6967708 | 0.73 | HTT (0.45) | HTTSLC22A12CHUKCYP3A4KDM4E | |
| SCHEMBL6973375 | 0.70 | LMNA (0.54) | HTTCYP3A4KDM4ELMNACYP1A2 | |
| SCHEMBL6962431 | 0.69 | HTT (0.52) | HTTSLC22A12CYP3A4KDM4ELMNA | |
| SCHEMBL6958271 | 0.68 | LMNA (0.42) | HTTCYP3A4KDM4ELMNACYP1A2 | |
| SCHEMBL25625881 | 0.68 | CYP11B2 (0.50) | HTTSLC22A12CHUKCYP11B1CYP11B2 | |
| SCHEMBL4207818 | 0.66 | KDM4E (0.59) | HTTCYP3A4KDM4ELMNACYP1A2 |
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 |