Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | RHEB | Q15382 | 8/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29670267 | 0.92 | AHR (0.56) | TDP1PARP1RECQLAHRRHEB | |
| SCHEMBL113992 | 0.92 | AHR (0.56) | TDP1PARP1RECQLAHRRHEB | |
| Hydrochloric Acid SCHEMBL6945346 | 0.90 | AHR (0.54) | TDP1PARP1RECQLAHRRHEB | |
| Iodide SCHEMBL29022372 | 0.90 | AHR (0.54) | TDP1PARP1RECQLAHRRHEB | |
| Ammonia Solution, Strong SCHEMBL9935854 | 0.90 | AHR (0.54) | TDP1PARP1RECQLAHRRHEB | |
| SCHEMBL27579654 | 0.78 | HTR1A (0.41) | TDP1PARP1RECQLAHRRHEB | |
| Ethoxycarbonyl Group SCHEMBL27965810 | 0.76 | PARP1 (0.41) | TDP1PARP1RECQLAHRRHEB | |
| SCHEMBL28126424 | 0.76 | PARP1 (0.41) | TDP1PARP1RECQLAHRRHEB | |
| SCHEMBL27894949 | 0.73 | AHR (0.55) | TDP1AHRRHEBMAPK1CSNK2B | |
| Tert-Butyl Formate SCHEMBL28030918 | 0.73 | TDP1 (0.42) | TDP1PARP1RECQLAHRRHEB |
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-102066372-B | 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors | ASCEPION PHARMACEUTICALS INC | 2014-09-17 | — | — | CN | disclosed |
| CN-102066372-A | 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors | ASCEPION PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | disclosed |