Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | EIF4EBP1 | Q13541 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703820 | 0.91 | MAPK1 (0.56) | MAPK1MAPTRAB9ATSHRL3MBTL1 | |
| SCHEMBL2120728 | 0.83 | MAPK1 (0.53) | MAPK1MAPTRAB9AALDH1A1HPGD | |
| SCHEMBL6702695 | 0.81 | MEN1 (0.48) | MAPK1ALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL2118644 | 0.79 | HDAC6 (0.46) | MAPK1ALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL2116182 | 0.78 | MCL1 (0.53) | MAPK1MAPTRAB9AALDH1A1HPGD | |
| SCHEMBL1608799 | 0.78 | MAPT (0.56) | MAPK1MAPTRAB9ATSHRL3MBTL1 | |
| SCHEMBL30159669 | 0.77 | KDM4E (0.48) | RAB9AL3MBTL1ALDH1A1HPGDKMT2A | |
| SCHEMBL2116289 | 0.77 | KDM4E (0.48) | RAB9AL3MBTL1ALDH1A1HPGDKMT2A | |
| SCHEMBL6177449 | 0.76 | PDPK1 (0.45) | ALDH1A1HPGDSMN1; SMN2KDM4ECYP3A4 | |
| SCHEMBL6697485 | 0.76 | KCNA5 (0.48) | MAPTRAB9ATSHRALDH1A1HPGD |
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-1530472-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004014379-A1 | ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |