Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20421111 | 0.91 | ALDH1A1 (0.53) | GRIN2BSMN1; SMN2NLRP3ALDH1A1RAB9A | |
| SCHEMBL17078679 | 0.90 | SMN1; SMN2 (0.52) | GRIN2BSMN1; SMN2NLRP3ALDH1A1RAB9A | |
| SCHEMBL20432713 | 0.90 | HDAC1 (0.57) | GRIN2BSMN1; SMN2NLRP3ALDH1A1RAB9A | |
| SCHEMBL17078700 | 0.90 | HDAC1 (0.57) | GRIN2BSMN1; SMN2NLRP3ALDH1A1RAB9A | |
| SCHEMBL20420926 | 0.89 | GRIN2B (0.55) | GRIN2BSMN1; SMN2NLRP3ALDH1A1RAB9A | |
| SCHEMBL17078470 | 0.89 | FAAH (0.50) | GRIN2BKDM4EMAPTFAAHHDAC1 | |
| SCHEMBL20421118 | 0.81 | SMN1; SMN2 (0.47) | GRIN2BSMN1; SMN2ALDH1A1RAB9AKDM4E | |
| SCHEMBL17078452 | 0.81 | CYP3A4 (0.58) | ALDH1A1RAB9AKDM4EMAPTMEN1 | |
| SCHEMBL17078699 | 0.81 | HDAC1 (0.56) | SMN1; SMN2NLRP3ALDH1A1RAB9AKDM4E | |
| SCHEMBL17078511 | 0.79 | HDAC1 (0.52) | GRIN2BSMN1; SMN2ALDH1A1RAB9AKDM4E |
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 |