Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1959401 | 0.78 | KMT2A (0.52) | HTR1ASIGMAR1MEN1KMT2A | |
| SCHEMBL1944073 | 0.76 | HRH3 (0.51) | KCNH2DRD2SIGMAR1 | |
| SCHEMBL1959932 | 0.76 | KCNH2 (0.38) | KCNH2MEN1CYP1A2CYP3A4TSHR | |
| SCHEMBL9374358 | 0.74 | SIGMAR1 (0.81) | DRD2SIGMAR1MEN1TP53CYP1A2 | |
| SCHEMBL1957562 | 0.73 | CYP2D6 (0.54) | MEN1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5558 | 0.71 | ESR2 (0.46) | MEN1CYP1A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL18838288 | 0.71 | SLC6A3 (0.67) | HTR1ADRD2SIGMAR1 | |
| SCHEMBL1042469 | 0.71 | SIGMAR1 (0.66) | DRD2SIGMAR1MEN1TP53CYP1A2 | |
| SCHEMBL1944378 | 0.70 | SIGMAR1 (0.56) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL5924 | 0.69 | ITGB3 (0.38) | DRD2MEN1CYP1A2CYP3A4CYP2C19 |
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-2507239-A1 | AZACYCLIC SPIRO DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-10 | — | — | EP | disclosed |
| WO-2011067166-A1 | AZACYCLIC SPIRO DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-09 | — | — | WO | disclosed |