Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.35 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27973990 | 1.00 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL20350836 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL13343436 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL14050754 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL20350837 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL20350838 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL13343349 | 0.77 | CES2 (0.46) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL15828044 | 0.76 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL839783 | 0.76 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL16938641 | 0.76 | CES2 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| CN-103130791-B | A kind of new benzamides compounds | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2016-05-04 | — | — | CN | claimed |
| CN-103130791-B | A kind of new benzamides compounds | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2016-05-04 | — | — | CN | disclosed |