Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NPY1R | P25929 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21735504 | 0.87 | HDAC6 (0.36) | HDAC6MEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL21735323 | 0.84 | HDAC6 (0.36) | HDAC6NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL21735311 | 0.84 | HDAC6 (0.36) | HDAC6NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL21735363 | 0.75 | CYP3A4 (0.34) | NPC1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL21735373 | 0.75 | CYP3A4 (0.34) | NPC1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL21735240 | 0.72 | HDAC6 (0.37) | HDAC6NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL21735237 | 0.72 | HDAC6 (0.37) | HDAC6NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL22628735 | 0.70 | HDAC6 (0.38) | HDAC6NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL21735735 | 0.70 | HDAC6 (0.38) | HDAC6NPC1RAB9APTGS2 | |
| SCHEMBL21735278 | 0.69 | HDAC6 (0.36) | HDAC6NPC1RAB9AKDM4EMEN1 |
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-3583091-B1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-11-04 | — | — | EP | disclosed |