Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14367944 | 1.00 | PDPK1 (0.50) | PDPK1CHRNA7SIGMAR1IDO1PRCP | |
| SCHEMBL9748978 | 0.94 | PDPK1 (0.54) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL9748975 | 0.94 | PDPK1 (0.54) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL4863616 | 0.94 | PDPK1 (0.54) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL4863623 | 0.94 | PDPK1 (0.54) | PDPK1CHRNA7SIGMAR1 | |
| SCHEMBL7620191 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7 | |
| SCHEMBL7620196 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7 | |
| SCHEMBL7620201 | 0.86 | PDPK1 (0.44) | PDPK1CHRNA7 | |
| SCHEMBL9813868 | 0.84 | SLC9A3 (0.47) | CHRNA7 | |
| SCHEMBL7617561 | 0.84 | CHRNA7 (0.45) | PDPK1CHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |