Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL12600238 | 0.85 | — | — | |
| SCHEMBL13332354 | 0.79 | SLC9A1 (0.41) | CYP1A2HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL12600616 | 0.76 | KDM1A (0.33) | CYP1A2 | |
| SCHEMBL12809065 | 0.76 | ADORA2A (0.31) | CYP1A2HTT | |
| SCHEMBL12600620 | 0.75 | HTR2A (0.36) | HTT | |
| SCHEMBL12600614 | 0.74 | CYP11B2 (0.37) | CYP1A2SLC6A4 | |
| SCHEMBL12600913 | 0.74 | KMO (0.30) | — | |
| SCHEMBL12600921 | 0.73 | CACNA1H (0.34) | AR | |
| SCHEMBL15808426 | 0.72 | IMPDH2 (0.43) | CYP1A2IMPDH2HTT | |
| SCHEMBL1398456 | 0.70 | MAPT (0.46) | — |
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-2137181-B1 | OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS | GLAXO GROUP LTD (GB) | 2011-03-02 | — | — | EP | disclosed |
| WO-2008128951-A1 | OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS | GLAXO GROUP LIMITED (GB) | 2008-10-30 | — | — | WO | disclosed |