Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27779225 | 0.90 | PKM (0.33) | PKM | |
| SCHEMBL28927787 | 0.86 | DPP4 (0.37) | DPP4PARP1 | |
| Trifluoroacetic Acid SCHEMBL27779686 | 0.82 | DPP4 (0.32) | DPP4 | |
| SCHEMBL14962429 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL14956310 | 0.79 | ADRB2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL27779309 | 0.79 | DPP4 (0.36) | DPP4 | |
| Trifluoroacetic Acid SCHEMBL27779974 | 0.76 | SMO (0.38) | DPP4 | |
| SCHEMBL14955967 | 0.73 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL27779176 | 0.73 | AURKA (0.35) | DPP4PARP1 | |
| Hydrochloric Acid SCHEMBL27779258 | 0.73 | DPP4 (0.35) | DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101641360-A | Piperazine derivatives, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2010-02-03 | — | — | CN | disclosed |