Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4224826 | 0.84 | NPC1 (0.52) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4219635 | 0.82 | NPC1 (0.50) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL13952304 | 0.81 | NPC1 (0.54) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4226433 | 0.80 | NPC1 (0.48) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4220059 | 0.80 | NPC1 (0.48) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4224669 | 0.78 | NPC1 (0.53) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4219512 | 0.77 | NPC1 (0.52) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL4369528 | 0.77 | GAA (0.54) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL13952099 | 0.76 | NPC1 (0.49) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL13952097 | 0.76 | PARP1 (0.40) | — |
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 |