Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6169640 | 0.87 | AR (0.42) | CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL2722964 | 0.85 | MEN1 (0.49) | ALDH1A1HSD17B10ACACBSMN1; SMN2MEN1 | |
| SCHEMBL6169204 | 0.82 | ACACB (0.43) | CYP3A4ALDH1A1ACACBKDM5AKDM5B | |
| SCHEMBL1075408 | 0.82 | ACACB (0.60) | CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL6170110 | 0.79 | LMNA (0.53) | ACACBCHKA | |
| SCHEMBL2722952 | 0.79 | LOXL2 (0.41) | CYP3A4CYP2C19ALDH1A1HSD17B10ACACB | |
| SCHEMBL2724388 | 0.79 | ACACB (0.41) | CYP3A4CYP2C19ALDH1A1HSD17B10ACACB | |
| SCHEMBL2724597 | 0.77 | PKM (0.42) | ALDH1A1HSD17B10ACACBSMN1; SMN2NAMPT | |
| SCHEMBL2724116 | 0.76 | ALDH1A1 (0.40) | ALDH1A1ACACBTSHRSMN1; SMN2NAMPT | |
| SCHEMBL2721489 | 0.76 | CASP3 (0.41) | CYP2C19ALDH1A1HSD17B10ACACBCYP2C9 |
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 |