Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL13175588 | 0.81 | MAPT (0.40) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL30132193 | 0.81 | CA1 (0.50) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL325006 | 0.81 | CA1 (0.50) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL8861425 | 0.80 | ALDH1A1 (0.46) | ALDH1A1ALOX15GAAHTTTDP1 | |
| SCHEMBL2088762 | 0.78 | RAB9A (0.46) | ALDH1A1GAAHTTMEN1MAPT | |
| SCHEMBL7531866 | 0.78 | HTT (0.46) | ALDH1A1ALOX15HTTMEN1MAPT | |
| SCHEMBL14855436 | 0.78 | KMT2A (0.43) | ALOX15MAPTKMT2ANPSR1KDM5A | |
| SCHEMBL13367921 | 0.78 | KDM5A (0.58) | ALDH1A1ALOX15GAATDP1CYP3A4 | |
| SCHEMBL24405304 | 0.77 | ALDH1A1 (0.36) | ALDH1A1ALOX15GAATDP1CYP3A4 | |
| SCHEMBL10952155 | 0.76 | CYP3A4 (0.44) | GAATDP1CYP3A4MEN1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010144586-A1 | ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING | ABRAXIS BIOSCIENCE, LLC (US) | 2010-12-16 | — | — | WO | disclosed |