Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.57 |
| ▸ | CMA1 | P23946 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 4/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.42 |
| ▸ | PPOX | P50336 | 1/20 | 0.42 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| SCHEMBL7415487 | 0.90 | AHR (0.55) | AHRCMA1CES1CHEK1TDP2 | |
| SCHEMBL7411028 | 0.78 | AHR (0.52) | AHRCES1TDP2GSK3BHTR3A | |
| SCHEMBL3408012 | 0.77 | AHR (0.58) | AHRCMA1CES1CHEK1TDP2 | |
| SCHEMBL12834907 | 0.75 | AHR (0.55) | AHRCMA1CES1CHEK1TDP2 | |
| SCHEMBL29908519 | 0.73 | AHR (1.00) | AHRCMA1CES1TDP2CCNB2 | |
| SCHEMBL221280 | 0.73 | AHR (1.00) | AHRCMA1CES1TDP2CCNB2 | |
| SCHEMBL12834903 | 0.72 | AHR (0.53) | AHRCMA1CES1CHEK1TDP2 | |
| Hydrochloric Acid SCHEMBL29594534 | 0.72 | AHR (0.96) | AHRCMA1CES1TDP2CCNB2 | |
| SCHEMBL25666668 | 0.72 | AHR (0.51) | AHRCMA1CES1CHEK1TDP2 | |
| SCHEMBL11105121 | 0.71 | CHEK1 (0.53) | AHRCMA1CES1CHEK1TDP2 |
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-3962248-A | PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES | SANDOZ, INC. (US) | 1976-06-08 | — | — | US | disclosed |