Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.93 |
| ▸ | CES1 | P23141 | 1/20 | 0.93 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258023 | 0.97 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL3071715 | 0.97 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8709138 | 0.97 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11839162 | 0.97 | CES2 (1.00) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1041539 | 0.97 | CES2 (0.87) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL145439 | 0.90 | CES2 (0.75) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8118661 | 0.87 | CES2 (0.70) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL12329512 | 0.86 | CES2 (0.80) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL2329613 | 0.86 | CES2 (0.67) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL18199938 | 0.81 | CES2 (0.72) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | disclosed |