Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL175067 | 0.85 | MAPT (0.52) | GAAKDM4EALDH1A1GLASMN1; SMN2 | |
| SCHEMBL175596 | 0.83 | MEN1 (0.56) | GAAKDM4EALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4569778 | 0.82 | MEN1 (0.53) | GAAKDM4EALDH1A1SMN1; SMN2CXCR2 | |
| SCHEMBL175199 | 0.81 | HTT (0.51) | GAAALDH1A1CXCR2KMT2AMEN1 | |
| SCHEMBL174238 | 0.81 | DDX3X (0.52) | GAAKDM4EALDH1A1ALOX15HSD17B10 | |
| SCHEMBL257377 | 0.79 | GAA (0.45) | GAAKDM4EALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL173797 | 0.78 | MEN1 (0.54) | KDM4EALDH1A1CYP1A2SMN1; SMN2CXCR2 | |
| SCHEMBL173758 | 0.78 | SMN1; SMN2 (0.53) | GAAKDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL174930 | 0.76 | RAB9A (0.52) | GAAKDM4EALDH1A1ALOX15HSD17B10 | |
| SCHEMBL174936 | 0.76 | MEN1 (0.51) | ALDH1A1SMN1; SMN2CA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | claimed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | claimed |
| EP-2611806-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Ascepion Pharmaceuticals, Inc. (CN) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028106-A1 | DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ASCEPION PHARMACEUTICALS, INC. (CN) | 2012-03-08 | — | — | WO | disclosed |