Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27500836 | 0.87 | MEN1 (0.42) | GAAEPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL138266 | 0.77 | GAA (0.39) | GAAEPHX1MEN1KMT2AHPGD | |
| SCHEMBL2972962 | 0.76 | GPR119 (0.38) | HPGDCA12CA14HSD11B1 | |
| SCHEMBL4552317 | 0.75 | HSD11B1 (0.44) | GAAEPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL1722706 | 0.75 | GAA (0.38) | GAAEPHX1ALDH1A1HPGDBTK | |
| SCHEMBL14666763 | 0.75 | ADH1B (0.38) | GAAEPHX1MEN1KMT2AALDH1A1 | |
| SCHEMBL24292459 | 0.74 | BTK (0.38) | GAAEPHX1HPGDBTKHSD11B1 | |
| SCHEMBL9843979 | 0.74 | ALDH1A1 (0.38) | GAAMEN1KMT2AALDH1A1POLB | |
| SCHEMBL871258 | 0.74 | GAA (0.37) | GAAEPHX1ALDH1A1HPGDBTK | |
| SCHEMBL28040276 | 0.73 | GAA (0.35) | GAAEPHX1ALDH1A1HPGDBTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3344608-A1 | A PROCESS FOR THE PREPARATION OF XYLENE LINKED CYCLAM COMPOUNDS | Fresenius Kabi Oncology Ltd (IN) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037639-A1 | A PROCESS FOR THE PREPARATION OF XYLENE LINKED CYCLAM COMPOUNDS | FRESENIUS KABI ONCOLOGY LTD. (IN) | 2017-03-09 | — | — | WO | disclosed |