Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | PLCG1 | P19174 | 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 | |
|---|---|---|---|---|
| SCHEMBL4581592 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL30631792 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL1874023 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL28376010 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL80035 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL545805 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CA2TAAR1MAPK1ESR1 | |
| SCHEMBL29713864 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CA2TAAR1MAPK1ESR1 | |
| SCHEMBL11206194 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CA1CA2CA4CA6 | |
| SCHEMBL1328337 | 0.72 | ALDH1A1 (0.43) | ALDH1A1TAAR1MAPK1ESR1GAA | |
| Hydrochloric Acid SCHEMBL27838096 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109153643-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2019-01-04 | — | — | CN | disclosed |