Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 5/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3252852 | 0.73 | HRH4 (0.55) | IP6K1IP6K3IP6K2 | |
| SCHEMBL3253910 | 0.72 | IP6K1 (0.45) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL31430234 | 0.72 | ADRA2B (0.50) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL2213581 | 0.72 | ADRA2B (0.50) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL2213812 | 0.72 | HSD11B1 (0.53) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL13310616 | 0.72 | ADRA2B (0.47) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL30507206 | 0.72 | ADRA2B (0.47) | IP6K1IP6K3IP6K2ADRA2BLMNA | |
| SCHEMBL3837117 | 0.71 | IP6K1 (0.55) | IP6K1IP6K3IP6K2LMNANPSR1 | |
| SCHEMBL4359077 | 0.71 | MGAM (0.53) | IP6K1IP6K3IP6K2TP53MAPT | |
| SCHEMBL4296570 | 0.70 | PGR (0.53) | ADRA2BLMNAPKMCYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |