Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | GRB2 | P62993 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.38 |
| ▸ | DPP3 | Q9NY33 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | NTSR2 | O95665 | 1/20 | 0.37 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23135342 | 0.89 | XIAP (0.53) | XIAPGRB2SLC6A2ELANEOPRM1 | |
| SCHEMBL23135343 | 0.89 | XIAP (0.53) | XIAPGRB2SLC6A2ELANEOPRM1 | |
| SCHEMBL31031582 | 0.82 | XIAP (0.48) | XIAPSLC6A2ELANESTAT3 | |
| SCHEMBL29641778 | 0.81 | XIAP (0.47) | XIAPGRB2SLC6A2ELANESTAT3 | |
| SCHEMBL29641668 | 0.81 | XIAP (0.58) | XIAPELANEOPRM1 | |
| SCHEMBL2408415 | 0.80 | OPRM1 (0.48) | XIAPOPRM1F2STAT3 | |
| SCHEMBL29641583 | 0.78 | XIAP (0.59) | XIAPELANEOPRM1 | |
| SCHEMBL30844308 | 0.78 | CMA1 (0.51) | XIAPGRB2ELANEOPRM1 | |
| SCHEMBL30974114 | 0.77 | CAPN1 (0.46) | XIAPGRB2OPRM1OPRD1OPRK1 | |
| SCHEMBL29580514 | 0.76 | XIAP (0.58) | XIAPELANEOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019162289-A1 | AMINOMETHYL-FUNCTIONALIZED DENATONIUM DERIVATIVES, THEIR PREPARATION AND USE | JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) | 2019-08-29 | — | — | WO | disclosed |