Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 3/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 8/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | F7 | P08709 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2398840 | 0.76 | AHR (0.52) | PIK3CDAHRPARP1NR4A2CYP2A6 | |
| SCHEMBL22045587 | 0.76 | KDM4E (0.34) | CYP2A6 | |
| SCHEMBL2079963 | 0.70 | AHR (0.44) | AHRNR4A2CYP2A6CMA1F7 | |
| SCHEMBL329720 | 0.70 | — | — | |
| SCHEMBL29882403 | 0.70 | — | — | |
| SCHEMBL29628855 | 0.70 | ALDH1A1 (0.55) | AHRPARP1CYP2A6TRPA1CA1 | |
| SCHEMBL280428 | 0.70 | ALDH1A1 (0.55) | AHRPARP1CYP2A6TRPA1CA1 | |
| SCHEMBL12612679 | 0.69 | PRKCI (0.46) | PIK3CDPIK3CBPIK3CGDYRK1B | |
| Hydrochloric Acid SCHEMBL7799642 | 0.68 | ALDH1A1 (0.52) | AHRPARP1CYP2A6TRPA1CA1 | |
| Iodide SCHEMBL6832071 | 0.68 | ALDH1A1 (0.52) | AHRPARP1CYP2A6TRPA1CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105669678-A | Phthalazinopyrrole compound and preparation method thereof | 中国农业大学 | 2016-06-15 | — | — | CN | disclosed |
| CN-105669678-A | Phthalazinopyrrole compound and preparation method thereof | 中国农业大学 | 2016-06-15 | — | — | CN | disclosed |