Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14909257 | 0.74 | PIK3CA (0.35) | PIK3CAPTGES2HDAC4PIK3R1MTOR | |
| SCHEMBL3765238 | 0.72 | GRM2 (0.33) | MTNR1AMTNR1BHDAC1HDAC8HDAC6 | |
| SCHEMBL6880953 | 0.71 | MT-CO2 (0.36) | — | |
| SCHEMBL2130967 | 0.71 | HDAC1 (0.42) | ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL12140384 | 0.70 | BRD4 (0.40) | HDAC1HDAC8HDAC6 | |
| SCHEMBL14923559 | 0.70 | SYK (0.46) | PIK3CAPIK3R1MTORS1PR3SYK | |
| SCHEMBL6879948 | 0.70 | KIF11 (0.40) | KCNH2 | |
| SCHEMBL4288276 | 0.70 | PARP1 (0.44) | MTNR1AMTNR1B | |
| SCHEMBL30687154 | 0.70 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL26939578 | 0.70 | SMN1; SMN2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015069011-A1 | NOVEL COMPOUND, METHOD FOR PREPARATION THEREOF, AND ANTIFUNGAL COMPOSITION COMPRISING THE SAME | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2015-05-14 | — | — | WO | disclosed |
| WO-2015034271-A1 | NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2015-03-12 | — | — | WO | disclosed |