Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679487 | 0.87 | ACHE (0.57) | CASP3ACHECA12 | |
| SCHEMBL29819864 | 0.87 | ACHE (0.57) | CASP3ACHECA12 | |
| SCHEMBL3131037 | 0.83 | RECQL (0.47) | CASP3ACHEKDM4EGAARECQL | |
| SCHEMBL18954708 | 0.83 | ALDH1A1 (0.59) | ACHETSHRCA12 | |
| SCHEMBL13442859 | 0.81 | CASP3 (0.62) | CASP3ACHECA12 | |
| SCHEMBL18668991 | 0.81 | MEN1 (0.50) | CASP3KDM4EGAARECQLRPS6KA2 | |
| SCHEMBL18668934 | 0.80 | CA12 (0.55) | CASP3RPS6KA2POLBTSHRCA12 | |
| SCHEMBL3089984 | 0.80 | GAA (0.64) | ACHEKDM4EGAARECQLTSHR | |
| SCHEMBL28737150 | 0.79 | KDM4E (0.63) | KDM4EGAARECQLCA12 | |
| SCHEMBL20256749 | 0.79 | CA12 (0.44) | CASP3ACHEKDM4EGAARECQL |
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-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | disclosed |