Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10157581 | 0.88 | SMN1; SMN2 (0.41) | KMT2AMEN1ALDH1A1POLBPGK1 | |
| SCHEMBL19072323 | 0.78 | LMNA (0.50) | KMT2AMEN1ALDH1A1POLBPGK1 | |
| SCHEMBL10157584 | 0.75 | KDM6A (0.52) | KMT2AALDH1A1 | |
| SCHEMBL11292565 | 0.70 | PTGDR (0.41) | KMT2AMEN1ALDH1A1POLBPGK1 | |
| SCHEMBL3418234 | 0.68 | LMNA (0.45) | KMT2AHRH4SMN1; SMN2ESR1MAPT | |
| SCHEMBL10266953 | 0.68 | CYP2D6 (0.41) | KMT2AMEN1ALDH1A1CA1CA2 | |
| SCHEMBL5063085 | 0.66 | PRNP (0.44) | ALDH1A1CA12CA9CA14HRH4 | |
| SCHEMBL12257760 | 0.66 | HRH4 (0.53) | KMT2AMEN1ALDH1A1HRH4SMN1; SMN2 | |
| SCHEMBL12615675 | 0.66 | CYP2D6 (0.56) | KMT2AALDH1A1POLBHRH4SMN1; SMN2 | |
| SCHEMBL19072212 | 0.66 | KMT2A (0.41) | KMT2AMEN1ALDH1A1POLBCA1 |
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-2012052390-A1 | N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | WO | disclosed |