Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000444 | 0.77 | APP (0.41) | APPLOXL2CA1CA2CA7 | |
| SCHEMBL7408357 | 0.77 | APP (0.41) | APPAOC3LOXL2CA1CA2 | |
| SCHEMBL11266187 | 0.74 | LMNA (0.47) | AOC3CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL11757860 | 0.74 | APP (0.39) | APPAOC3LOXL2CA1CA2 | |
| Hydrochloric Acid SCHEMBL11255237 | 0.72 | LMNA (0.44) | AOC3CA1CA2CA7CA9 | |
| SCHEMBL5677266 | 0.72 | APP (0.38) | APPAOC3LOXL2CA1CA2 | |
| SCHEMBL1547810 | 0.72 | APP (0.48) | APPAOC3LOXL2CA1CA2 | |
| Bromide SCHEMBL6770232 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27469469 | 0.70 | ALDH1A1 (0.48) | CA1CA2CA7CA9ACHE | |
| Hydrochloric Acid SCHEMBL14761607 | 0.70 | APP (0.46) | APPAOC3LOXL2CA1CA2 |
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-106459057-A | Analogs of 4H-pyrazolo [1, 5-alpha ] benzimidazole compounds as PARP inhibitors | 湖北生物医药产业技术研究院有限公司 | 2017-02-22 | — | — | CN | disclosed |