Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 6/20 | 0.36 |
| ▸ | CPB1 | P15086 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 3/20 | 0.32 |
| ▸ | CPN1 | P15169 | 1/20 | 0.32 |
| ▸ | F9 | P00740 | 1/20 | 0.32 |
| ▸ | TPH1 | P17752 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9256051 | 0.99 | PDK1 (0.36) | PDK1CPB2CPB1CYP1A2MAP4K4 | |
| SCHEMBL9254878 | 0.90 | CPB2 (0.36) | PDK1CPB2CPB1MAP4K4F10 | |
| SCHEMBL9258718 | 0.89 | CPB1 (0.39) | PDK1CPB2CPB1F10F9 | |
| SCHEMBL9568746 | 0.88 | F10 (0.36) | PDK1CPB2CPB1F10ITGB3 | |
| SCHEMBL9248830 | 0.87 | CPB2 (0.42) | PDK1CPB2CPB1F10F9 | |
| SCHEMBL9251486 | 0.86 | ITGB3 (0.36) | PDK1CPB2CPB1MAP4K4F10 | |
| SCHEMBL9255144 | 0.86 | TPH1 (0.39) | CPB2CPB1MAP4K4TPH1 | |
| SCHEMBL9568572 | 0.85 | PDK1 (0.39) | PDK1CPB2CPB1CYP1A2TPH1 | |
| Trifluoroacetic Acid SCHEMBL9095103 | 0.85 | F10 (0.36) | CPB2CPB1F10F9ITGB3 | |
| Hydrochloric Acid SCHEMBL9255416 | 0.84 | PDK1 (0.39) | PDK1CPB2CPB1CYP1A2TPH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0525629-A2 | 5-membered heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-02-03 | — | — | EP | claimed |