Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL506329 | 0.86 | AAK1 (0.50) | AAK1FPR3FPR2 | |
| SCHEMBL29888968 | 0.85 | NQO2 (0.50) | AAK1NQO2IDO1KDM4EMEN1 | |
| SCHEMBL28801452 | 0.85 | NQO2 (0.47) | AAK1NQO2IDO1KDM4EMEN1 | |
| SCHEMBL6675032 | 0.84 | NQO2 (0.49) | NQO2IDO1CA12CA1CA2 | |
| SCHEMBL2547551 | 0.84 | IDO1 (0.52) | AAK1NQO2IDO1KDM4EMEN1 | |
| SCHEMBL29707372 | 0.83 | AAK1 (0.47) | AAK1NQO2IDO1CA12CA1 | |
| SCHEMBL3635747 | 0.82 | NQO2 (0.49) | NQO2MTNR1BIDO1CA12CA1 | |
| SCHEMBL15145787 | 0.81 | P2RX7 (0.49) | AAK1MEN1KMT2AFPR3FPR2 | |
| SCHEMBL4930587 | 0.81 | AAK1 (0.48) | AAK1NQO2IDO1ALDH1A1HPGD | |
| SCHEMBL31047861 | 0.79 | AAK1 (0.48) | AAK1SMN1; SMN2 |
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-2658848-A1 | NEW BIARYL AMIDE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-06 | — | — | EP | disclosed |
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2012089601-A1 | NEW BIARYL AMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-05 | — | — | WO | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |