Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17554285 | 0.77 | EP300 (0.44) | ADORA2AGSK3AGSK3BMGLLP2RX7 | |
| SCHEMBL19746414 | 0.77 | P2RX7 (0.46) | GSK3AGSK3BMGLLP2RX7KMT2A | |
| SCHEMBL19746013 | 0.73 | HTT (0.48) | ADORA2AHDAC6KMT2ARAB9AKDM4E | |
| SCHEMBL19747229 | 0.72 | HDAC6 (0.48) | GRM2ADORA2AHDAC6GSK3AGSK3B | |
| SCHEMBL19747232 | 0.70 | HTT (0.39) | HDAC6GSK3AGSK3BMGLLP2RX7 | |
| SCHEMBL19747231 | 0.70 | HTT (0.39) | HDAC6GSK3AGSK3BMGLLP2RX7 | |
| SCHEMBL19746867 | 0.70 | NOS1 (0.39) | GSK3AGSK3BMGLLP2RX7KMT2A | |
| SCHEMBL19746868 | 0.70 | NOS1 (0.39) | GSK3AGSK3BMGLLP2RX7KMT2A | |
| SCHEMBL19746869 | 0.70 | L3MBTL1 (0.39) | HDAC6GSK3AGSK3BMGLLP2RX7 | |
| SCHEMBL28189599 | 0.66 | HSP90AB1 (0.59) | GRM2GSK3AGSK3BMGLLKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017222952-A1 | 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | WO | disclosed |