Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | WNT3A | P56704 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14696935 | 0.92 | NQO2 (0.54) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL14696902 | 0.91 | NQO2 (0.53) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL9926672 | 0.86 | ALDH1A1 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL14696936 | 0.83 | KMT2A (0.48) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL13833091 | 0.83 | ALDH1A1 (0.63) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL14696903 | 0.82 | KMT2A (0.48) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL7950825 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL19075841 | 0.81 | ALDH1A1 (0.84) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL28409468 | 0.80 | NQO2 (0.57) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL15427687 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 |
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-2013124749-A1 | NOVEL POLYMORPH OF DABIGATRAN ETEXILATE | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2013-08-29 | — | — | WO | disclosed |