Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.36 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6535445 | 0.98 | HDAC3 (0.37) | CYP3A4ALOX15SMN1; SMN2HDAC3NCOR1 | |
| Hydrochloric Acid SCHEMBL8509046 | 0.98 | HDAC3 (0.37) | CYP3A4ALOX15SMN1; SMN2HDAC3NCOR1 | |
| SCHEMBL2521854 | 0.78 | MEN1 (0.47) | CYP3A4ALOX15SMN1; SMN2HDAC3CASP1 | |
| SCHEMBL2896836 | 0.78 | DRD3 (0.38) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL7947232 | 0.77 | MEN1 (0.46) | CYP3A4ALOX15SMN1; SMN2HDAC3CASP1 | |
| SCHEMBL1324109 | 0.75 | CYP1A2 (0.44) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL1061884 | 0.74 | CA2 (0.38) | CYP3A4ALOX15SMN1; SMN2SLC22A2SLC22A3 | |
| SCHEMBL11187846 | 0.74 | TAAR1 (0.35) | CYP3A4ALOX15SLC22A2SLC22A3TSHR | |
| SCHEMBL6820422 | 0.74 | MAPT (0.44) | CYP3A4SLC22A2SLC22A3TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL4663787 | 0.74 | CYP1A2 (0.43) | CYP3A4ALDH1A1TDP1HSD17B10KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103626776-B | Pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, preparation methods of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, and application of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives in oncotherapy | 北京师范大学 | 2017-02-15 | — | — | CN | disclosed |
| WO-1999030727-A9 | POLYMERIC PRODRUGS OF AMINO- AND HYDROXYL-CONTAINING BIOACTIVE AGENTS | ENZON INC (US) | 1999-09-23 | — | — | WO | disclosed |
| EP-0742015-A1 | Prodrugs for beta-lactamase and uses thereof | Bristol-Myers Squibb Company (US) | 1996-11-13 | — | — | EP | disclosed |
| EP-0484870-A2 | Prodrugs for beta-lactamase and uses thereof | Bristol-Myers Squibb Company (US) | 1992-05-13 | — | — | EP | disclosed |
| EP-0117797-A1 | Nitroso ureas, process for their preparation and their therapeutic use | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1984-09-05 | — | — | EP | disclosed |