Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 7/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.45 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844584 | 0.87 | IP6K1 (0.52) | IP6K1IP6K3IP6K2ADRA2BHTR1A | |
| SCHEMBL3837117 | 0.76 | IP6K1 (0.55) | IP6K1IP6K3IP6K2HTR1AHTR2A | |
| SCHEMBL4359077 | 0.74 | MGAM (0.53) | IP6K1IP6K3IP6K2TP53GAA | |
| SCHEMBL2213812 | 0.73 | HSD11B1 (0.53) | IP6K1IP6K3IP6K2ADRA2BHTR1A | |
| SCHEMBL4988173 | 0.72 | IP6K1 (0.58) | IP6K1IP6K3IP6K2ADRA2BHTR1A | |
| SCHEMBL3255524 | 0.72 | HRH4 (0.58) | IP6K1IP6K3IP6K2KMT2A | |
| SCHEMBL3252765 | 0.72 | HRH4 (0.58) | IP6K1IP6K3IP6K2MEN1KMT2A | |
| SCHEMBL2075657 | 0.72 | IP6K1 (0.46) | IP6K1IP6K3IP6K2ADRA2BHTR1A | |
| SCHEMBL4296570 | 0.71 | PGR (0.53) | ADRA2BLMNAPKMGAAMAPT | |
| SCHEMBL13310616 | 0.70 | ADRA2B (0.47) | IP6K1IP6K3IP6K2ADRA2BLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2102207-A1 | SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008068185-A1 | SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | WO | disclosed |