Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12273874 | 1.00 | ESR1 (0.46) | ESR1ESR2ALOX15AGERIDO1 | |
| SCHEMBL12447331 | 0.84 | ALDH1A1 (0.45) | IDO1MEN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL12819539 | 0.78 | IDO1 (0.40) | ESR1ESR2IDO1MEN1KMT2A | |
| SCHEMBL4800311 | 0.75 | ESR1 (0.44) | ESR1ESR2ALOX15IDO1MEN1 | |
| SCHEMBL8952189 | 0.74 | ESR1 (0.78) | ESR1ESR2ALOX15AGERCYP1A2 | |
| SCHEMBL28211276 | 0.73 | SLC6A2 (0.44) | IDO1MEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12273876 | 0.71 | ALOX15 (0.43) | ESR1ESR2ALOX15AGERIDO1 | |
| SCHEMBL31224586 | 0.70 | MAOB (0.42) | LIPE | |
| SCHEMBL31224582 | 0.70 | MAOB (0.42) | LIPE | |
| SCHEMBL20246079 | 0.69 | CYP1A2 (0.34) | ESR1ESR2ALDH1A1CYP1A2LIPE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688881-A1 | NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-29 | — | — | EP | disclosed |
| EP-2686300-A1 | NEW AZASPIRODECANONE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012130679-A1 | NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-04 | — | — | WO | disclosed |
| WO-2012123468-A1 | NEW AZASPIRODECANONE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |