Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.39 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112591 | 0.86 | PDK1 (0.51) | PDK1PDK2PDK3PDK4MAPK14 | |
| SCHEMBL17112949 | 0.83 | PDK1 (0.48) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL14738332 | 0.81 | EGLN2 (0.45) | PDK1PDK2PDK3PDK4MAPK14 | |
| SCHEMBL16052826 | 0.81 | PDK1 (0.46) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL16052555 | 0.80 | KDM4E (0.66) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL6341804 | 0.77 | ALDH1A1 (0.53) | MAPK14KMT2AALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8981905 | 0.76 | PDK1 (0.47) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL23317519 | 0.76 | HTT (0.53) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL21624307 | 0.76 | MAPT (0.51) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL30922573 | 0.76 | L3MBTL1 (0.46) | PDK1PDK2PDK3PDK4KMT2A |
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-3122751-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | claimed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | claimed |
| EP-3122751-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015144609-A1 | CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-10-01 | — | — | WO | disclosed |