Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 7/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | MMP13 | P45452 | 3/20 | 0.44 |
| ▸ | MMP3 | P08254 | 2/20 | 0.44 |
| ▸ | MMP7 | P09237 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11775274 | 0.81 | ALDH1A1 (0.71) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL23788548 | 0.81 | MMP2 (0.47) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL16519484 | 0.79 | CA2 (0.68) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL4752500 | 0.79 | CA2 (0.68) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL16519485 | 0.79 | CA2 (0.68) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL8202657 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL8192042 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL8199866 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRCA2CA9CA12 | |
| SCHEMBL4703731 | 0.76 | CA12 (0.71) | ALDH1A1CA2CA9CA12HPGD | |
| SCHEMBL12169286 | 0.74 | CA2 (0.75) | ALDH1A1TSHRCA2CA9CA12 |
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-0885888-B1 | ISOQUINOLINE DERIVATIVES AND DRUGS | HIDAKA HIROYOSHI DR (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6153608-A | Isoquinoline derivatives and drugs | NIPPON SHINYAKU CO., LTD. (JP) | 2000-11-28 | — | — | US | disclosed |
| EP-0885888-A1 | ISOQUINOLINE DERIVATIVES AND DRUGS | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |