Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 SCHEMBL8507986 | 0.98 | HTT (0.35) | HTTTDP1ALDH1A1HSD17B10CTSD | |
| SCHEMBL2896837 | 0.77 | KDM4E (0.40) | TDP1ALDH1A1HSD17B10CTSDTSHR | |
| SCHEMBL8360966 | 0.77 | IDO1 (0.39) | TDP1ALDH1A1HSD17B10CTSDTSHR | |
| SCHEMBL11418786 | 0.76 | TDP1 (0.44) | HTTTDP1ALDH1A1SLC6A2MAPT | |
| Oxalic Acid SCHEMBL8509058 | 0.74 | MEN1 (0.49) | HTTTSHRRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL9005274 | 0.72 | KCNH2 (0.51) | HTTALDH1A1RAB9AKMT2APAX8 | |
| SCHEMBL50189 | 0.71 | L3MBTL1 (0.52) | TDP1ALDH1A1HSD17B10CTSDTSHR | |
| SCHEMBL7903849 | 0.71 | SMN1; SMN2 (0.38) | ALDH1A1L3MBTL1MAPTRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11760188 | 0.70 | L3MBTL1 (0.50) | TDP1ALDH1A1HSD17B10CTSDTSHR | |
| SCHEMBL30998804 | 0.70 | ALDH1A1 (0.47) | TDP1ALDH1A1CTSDTSHRL3MBTL1 |
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 3 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 |
| CN-103626776-A | 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 | UNIV BEIJING NORMAL | 2014-03-12 | — | — | CN | disclosed |
| WO-2007040565-A9 | ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS | KING PHARMACEUTICALS RES & DEV (US) | 2007-07-05 | — | — | WO | disclosed |