Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28628674 | 0.82 | TSHR (0.46) | TSHRCYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8309087 | 0.79 | TSHR (1.00) | TSHRCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL10446411 | 0.79 | CFTR (0.58) | CYP3A4CYP2A6CFTRSLC6A2SLC6A4 | |
| SCHEMBL6563562 | 0.77 | HTT (0.43) | TSHRSLC6A3 | |
| SCHEMBL6581164 | 0.76 | TBXAS1 (0.53) | TSHRCFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28668759 | 0.75 | TSHR (0.44) | TSHRCYP3A4CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL2030838 | 0.74 | ALOX5 (0.47) | TSHRSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL17071838 | 0.74 | CFTR (0.63) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL17069338 | 0.74 | CFTR (0.63) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL14283944 | 0.74 | CFTR (0.63) | CFTRSLC6A2SLC6A4SLC6A3GOPC |
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-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |