Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20432784 | 0.90 | HDAC1 (0.68) | GRIN2BHDAC1HDAC6TSHRSMN1; SMN2 | |
| SCHEMBL17078511 | 0.90 | HDAC1 (0.52) | GRIN2BHDAC1HDAC6TSHRSMN1; SMN2 | |
| SCHEMBL17079056 | 0.90 | HDAC1 (0.68) | GRIN2BHDAC1HDAC6TSHRSMN1; SMN2 | |
| SCHEMBL20420965 | 0.89 | GRIN2B (0.55) | GRIN2BHDAC1HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL17078470 | 0.89 | FAAH (0.50) | GRIN2BHDAC1HDAC6KDM4EMAPT | |
| SCHEMBL20420928 | 0.82 | HDAC1 (0.54) | HDAC1HDAC6KDM4EALDH1A1MEN1 | |
| SCHEMBL20420890 | 0.81 | HDAC1 (0.58) | HDAC1HDAC6TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL20421111 | 0.80 | ALDH1A1 (0.53) | GRIN2BSMN1; SMN2RAB9AKDM4EMAPT | |
| SCHEMBL17078700 | 0.79 | HDAC1 (0.57) | GRIN2BHDAC1HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL20432713 | 0.79 | HDAC1 (0.57) | GRIN2BHDAC1HDAC6SMN1; SMN2RAB9A |
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-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |