Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14606394 | 0.97 | — | — | |
| SCHEMBL6894666 | 0.81 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6195957 | 0.78 | — | — | |
| SCHEMBL29333093 | 0.78 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL599277 | 0.78 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL29333109 | 0.78 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL28425729 | 0.78 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL21111077 | 0.77 | EPHX2 (0.36) | TSHR | |
| SCHEMBL5012650 | 0.77 | CES2 (0.48) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL19540775 | 0.77 | CES2 (0.48) | CES2CES1HDAC8HDAC6TSHR |
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-3257852-A1 | PREPARATION METHOD FOR PRAZIQUANTEL AND INTERMEDIATE COMPOUNDS THEREOF | Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) | 2017-12-20 | — | — | EP | disclosed |
| US-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |