Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.50 |
| ▸ | MAT2A | P31153 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10014422 | 0.77 | KDM4E (0.48) | MEN1KMT2ALMNAL3MBTL1GAA | |
| SCHEMBL18689573 | 0.73 | GRIK1 (0.48) | GRIK1GRIA1MEN1KMT2ALMNA | |
| SCHEMBL31257810 | 0.73 | GRIK1 (0.55) | GRIK1GRIA1MEN1KMT2AALDH1A1 | |
| SCHEMBL9836581 | 0.73 | MAT2A (0.61) | MAT2AMEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL31751011 | 0.73 | GRIK1 (0.48) | GRIK1GRIA1MEN1KMT2ATSHR | |
| SCHEMBL17318017 | 0.71 | JAK2 (0.51) | GRIK1GRIA1MEN1KMT2ALMNA | |
| SCHEMBL30641970 | 0.70 | GRIK1 (0.46) | GRIK1GRIA1MEN1KMT2ATSHR | |
| SCHEMBL16789303 | 0.69 | KDM4E (0.45) | MEN1KMT2ALMNAL3MBTL1GAA | |
| SCHEMBL17011007 | 0.69 | L3MBTL1 (0.61) | MEN1KMT2ALMNAL3MBTL1TSHR | |
| SCHEMBL699273 | 0.68 | LMNA (0.65) | MAT2AMEN1KMT2ALMNAL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | claimed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | claimed |