Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983631 | 0.71 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL6926034 | 0.69 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL6920016 | 0.69 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL6920651 | 0.67 | L3MBTL1 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6923958 | 0.65 | HDAC3 (0.31) | ALDH1A1 | |
| SCHEMBL6921985 | 0.63 | — | — | |
| SCHEMBL6928593 | 0.62 | GAA (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6925139 | 0.61 | GSK3B (0.47) | ALDH1A1 | |
| SCHEMBL19002552 | 0.61 | ALDH1A1 (0.43) | ALDH1A1HTTSMN1; SMN2RAB9A | |
| SCHEMBL6925188 | 0.59 | KDM4E (0.49) | ALDH1A1HTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |