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 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19393778 | 1.00 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL15219739 | 0.85 | — | — | |
| SCHEMBL14997457 | 0.85 | CES2 (0.32) | CES2CES1 | |
| SCHEMBL5815510 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL19971755 | 0.80 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL9298492 | 0.78 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL20196686 | 0.76 | LMNA (0.44) | TSHRNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL22419009 | 0.76 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1679605 | 0.76 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL1678567 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3214076-A1 | HETEROCYCLIC DERIVATIVE HAVING AMPK ACTIVATING EFFECT | Shionogi & Co., Ltd. (JP) | 2017-09-06 | — | — | EP | disclosed |
| WO-2017135786-A1 | NOVEL AMIDE COMPOUND AND USE THEREOF | 연세대학교 산학협력단 | 2017-08-10 | — | — | WO | disclosed |
| WO-2016119848-A1 | METHOD FOR THE PREPARATION OF CYCLOALIPHATIC EPOXY RESINS | HENKEL AG & CO. KGAA (DE) | 2016-08-04 | — | — | WO | disclosed |
| EP-2010186-B1 | HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-12-26 | — | — | EP | disclosed |
| EP-2204379-A1 | POLYPEPTIDE COMPOUND | Astellas Pharma Inc. (JP) | 2010-07-07 | — | — | EP | disclosed |