Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL1001879 | 0.92 | SMN1; SMN2 (0.57) | GAASMN1; SMN2HTTNPSR1DRD2 | |
| SCHEMBL13510871 | 0.89 | GAA (0.52) | GAASMN1; SMN2HTTNPSR1DRD2 | |
| SCHEMBL3919908 | 0.88 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1KMT2AMEN1NAMPT | |
| SCHEMBL2777683 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2HTTNPSR1ALDH1A1KMT2A | |
| SCHEMBL3491340 | 0.80 | NAMPT (0.46) | SMN1; SMN2HTTNPSR1KMT2AMEN1 | |
| SCHEMBL20544738 | 0.79 | RPS6KB1 (0.42) | DRD2 | |
| SCHEMBL19033759 | 0.78 | CYP2C19 (0.54) | GAASMN1; SMN2ALDH1A1KMT2AMEN1 | |
| SCHEMBL20544519 | 0.78 | AKT1 (0.42) | DRD2CNR1CNR2 | |
| SCHEMBL23387616 | 0.78 | HTT (0.48) | GAASMN1; SMN2HTTNPSR1DRD2 | |
| SCHEMBL23387617 | 0.78 | DRD2 (0.42) | GAASMN1; SMN2HTTNPSR1DRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2272517-B2 | ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LTD (GB) | 2017-09-20 | — | — | EP | disclosed |
| EP-2272517-B1 | Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors | ASTEX THERAPEUTICS LTD (GB) | 2014-10-01 | — | — | EP | disclosed |
| EP-1812004-B1 | ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LTD (GB) | 2011-06-22 | — | — | EP | disclosed |