Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL1310500 | 0.78 | KMT2A (0.60) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL14972765 | 0.74 | CYP1A2 (0.45) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL1310048 | 0.73 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1ALDH1A1NAMPTMAPK1 | |
| SCHEMBL1325020 | 0.72 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1ALDH1A1L3MBTL1NAMPT | |
| SCHEMBL1310955 | 0.71 | KMT2A (0.49) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL1310328 | 0.71 | KMT2A (0.55) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL14972754 | 0.70 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2L3MBTL1KDM4EHTT | |
| SCHEMBL399162 | 0.70 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2L3MBTL1KDM4EGAA | |
| SCHEMBL1311593 | 0.70 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL14972763 | 0.70 | KMT2A (0.66) | HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2L3MBTL1 |
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-2391614-B1 | ENAMINOCARBONYL COMPOUNDS AND THEIR USE | INST CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) | 2013-05-29 | — | — | EP | disclosed |