Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7401885 | 0.85 | GAA (0.70) | ALDH1A1NPSR1LMNAGAASMN1; SMN2 | |
| SCHEMBL1706030 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1GAAHPGD | |
| SCHEMBL627906 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1GAAHPGD | |
| Hydrochloric Acid SCHEMBL15063255 | 0.83 | ALDH1A1 (0.77) | ALDH1A1LMNAL3MBTL1GAAHPGD | |
| SCHEMBL3468042 | 0.81 | KCNA5 (0.56) | ALDH1A1LMNAGAAMAPTSMN1; SMN2 | |
| SCHEMBL3471101 | 0.81 | KDM1A (0.53) | ALDH1A1NPSR1LMNAL3MBTL1GAA | |
| SCHEMBL3236859 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LMNAL3MBTL1GAAHPGD | |
| SCHEMBL28261688 | 0.80 | ALDH1A1 (0.64) | ALDH1A1LMNAGAASMN1; SMN2CYP3A4 | |
| SCHEMBL5183233 | 0.80 | ALDH1A1 (0.55) | ALDH1A1NPSR1LMNAL3MBTL1GAA | |
| SCHEMBL4526063 | 0.75 | ALDH1A1 (0.71) | ALDH1A1NPSR1LMNAGAAHTT |
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-2010069069-A1 | CATHEPSIN B INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2010-06-24 | — | — | WO | disclosed |