Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | METAP2 | P50579 | 1/20 | 0.59 |
| ▸ | METAP1 | P53582 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989152 | 0.83 | HDAC1 (0.77) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23406114 | 0.83 | GRM5 (0.54) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29744091 | 0.83 | GRM5 (0.54) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1147702 | 0.83 | KDM4E (0.73) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4508472 | 0.83 | CES2 (0.64) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL231897 | 0.82 | KDR (0.78) | HDAC6NPC1RAB9ASMN1; SMN2GRM4 | |
| SCHEMBL4522324 | 0.82 | HDAC1 (0.69) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9384187 | 0.82 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL11223392 | 0.81 | CES2 (0.61) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1422257 | 0.81 | CES2 (0.61) | HDAC6HDAC3HDAC4HDAC1HDAC7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107898-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2016-12-28 | — | — | EP | claimed |
| WO-2015124932-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-08-27 | — | — | WO | claimed |
| CN-110590749-B | Crystal form of pyridylamino pyrimidine derivative mesylate, preparation and application thereof | 上海艾力斯医药科技股份有限公司 | 2020-11-06 | — | — | CN | disclosed |
| EP-3107898-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2016-12-28 | — | — | EP | disclosed |
| WO-2016015453-A1 | PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | 上海艾力斯医药科技有限公司 | 2016-02-04 | — | — | WO | disclosed |
| WO-2015124932-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-08-27 | — | — | WO | disclosed |