Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.46 |
| ▸ | KDR | P35968 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13424915 | 0.81 | AURKA (0.44) | AURKAKDRACHECA12CA9 | |
| SCHEMBL4729863 | 0.81 | AURKA (0.44) | AURKAKDRCA12CA9CDK1 | |
| SCHEMBL10200892 | 0.81 | AURKA (0.44) | AURKAKDRACHECA12CA9 | |
| SCHEMBL15814110 | 0.81 | AURKA (0.44) | AURKAKDRACHECA12CA9 | |
| SCHEMBL19421040 | 0.78 | AURKA (0.41) | AURKAKDRCA12CA9CDK1 | |
| SCHEMBL3484978 | 0.76 | AURKA (0.59) | AURKAKDRCA12CA9CDK1 | |
| SCHEMBL16772204 | 0.73 | AURKA (0.38) | AURKAKDRCA12CA9CDK1 | |
| SCHEMBL14451823 | 0.71 | ROCK2 (0.41) | AURKAACHEMEN1MAPTMAOA | |
| SCHEMBL14669905 | 0.68 | ROCK2 (0.36) | ACHEKDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL22972502 | 0.68 | AURKA (0.42) | AURKAKDRCA12CA9MAP2K1 |
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 |