Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL901715 | 0.99 | CDK1 (0.47) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147601 | 0.74 | KDM4E (0.84) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147600 | 0.73 | KDM4E (0.82) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147663 | 0.73 | KDM4E (0.82) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147009 | 0.72 | CDK1 (0.81) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147618 | 0.71 | CDK1 (0.80) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147537 | 0.71 | CDK1 (0.80) | CDK1KDM4ELMNAHTTHSD17B10 | |
| Water SCHEMBL14739890 | 0.71 | CCR1 (0.52) | FERMT2CCR1NR4A2 | |
| SCHEMBL8148976 | 0.70 | CDK1 (0.52) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147366 | 0.70 | CDK1 (0.87) | CDK1KDM4ELMNAHTTHSD17B10 |
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-2012041493-A1 | AMINOQUINOLINIUM SALTS, METHODS OF THEIR PRODUCTION AND THEIR USE AS ACTIVE AGENTS FOR BIOTECHNOLOGICAL AND MEDICAL APPLICATIONS AGAINST BINARY TOXINS | JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) | 2012-04-05 | — | — | WO | disclosed |