Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 9/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1186672 | 0.85 | GLO1 (0.67) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL1186674 | 0.85 | GLO1 (0.67) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL4197379 | 0.85 | GLO1 (0.67) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL11101309 | 0.77 | NPSR1 (0.48) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL14827720 | 0.77 | NPSR1 (0.48) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL50838 | 0.76 | NPSR1 (0.56) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL24937270 | 0.75 | GLO1 (0.57) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL28786257 | 0.75 | GLO1 (0.57) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL29636860 | 0.75 | GLO1 (0.53) | GLO1NPSR1ALDH1A1GAACYP2D6 | |
| SCHEMBL11651951 | 0.74 | GLO1 (0.50) | GLO1NPSR1ALDH1A1GAACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |