Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 4/20 | 0.39 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | WNT1 | P04628 | 2/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
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 SCHEMBL27779309 | 0.91 | DPP4 (0.36) | TGFBR1CSNK1DCSNK1EHMGCRGSK3B | |
| Trifluoroacetic Acid SCHEMBL27861538 | 0.88 | GPR6 (0.36) | CSNK1DCSNK1E | |
| SCHEMBL27779351 | 0.81 | KCNH2 (0.34) | TGFBR1 | |
| Trifluoroacetic Acid SCHEMBL27800718 | 0.79 | CYP1A2 (0.41) | HTR2AHTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL27800786 | 0.79 | TAAR1 (0.40) | HTR2AHTR2CHTR2B | |
| Trifluoroacetic Acid SCHEMBL27779311 | 0.78 | SCN9A (0.39) | CSNK1DCSNK1EHTR2AHTR2C | |
| Trifluoroacetic Acid SCHEMBL27779225 | 0.77 | PKM (0.33) | HTR2AHTR2C | |
| SCHEMBL14955967 | 0.75 | HTR2A (0.33) | HTR2AHTR2C | |
| Trifluoroacetic Acid SCHEMBL27861532 | 0.74 | HRH4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL27779691 | 0.72 | UHRF1 (0.34) | — |
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 |