Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20420965 | 0.91 | GRIN2B (0.55) | ALDH1A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL17078699 | 0.90 | HDAC1 (0.56) | ALDH1A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL17078452 | 0.90 | CYP3A4 (0.58) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL17078700 | 0.80 | HDAC1 (0.57) | ALDH1A1KMT2AKDM4EMAPTRAB9A | |
| SCHEMBL17078679 | 0.80 | SMN1; SMN2 (0.52) | ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL20432713 | 0.80 | HDAC1 (0.57) | ALDH1A1KMT2AKDM4EMAPTRAB9A | |
| SCHEMBL20420926 | 0.80 | GRIN2B (0.55) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL17078470 | 0.79 | FAAH (0.50) | KDM4EMAPTGRIN2B | |
| SCHEMBL20420995 | 0.74 | PLA2G1B (0.55) | ALDH1A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL20421118 | 0.73 | SMN1; SMN2 (0.47) | ALDH1A1KMT2AKDM4EMAPTRAB9A |
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 |