Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CNOT7 | Q9UIV1 | 3/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19747231 | 1.00 | HTT (0.39) | HTTKDM4EALDH1A1MAPTLMNA | |
| SCHEMBL19746867 | 0.75 | NOS1 (0.39) | HTTKDM4EALDH1A1MAPTDAO | |
| SCHEMBL19746868 | 0.75 | NOS1 (0.39) | HTTKDM4EALDH1A1MAPTDAO | |
| SCHEMBL19746414 | 0.74 | P2RX7 (0.46) | HTTKDM4EALDH1A1MAPTLMNA | |
| SCHEMBL17554285 | 0.74 | EP300 (0.44) | HTTALDH1A1DAOL3MBTL1P2RX7 | |
| SCHEMBL19746431 | 0.70 | GRM2 (0.41) | HTTKDM4EALDH1A1MAPTDAO | |
| SCHEMBL19746869 | 0.69 | L3MBTL1 (0.39) | HTTKDM4EDAOL3MBTL1P2RX7 | |
| SCHEMBL22342571 | 0.65 | KCNH2 (0.46) | HTTKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL22342573 | 0.65 | KCNH2 (0.46) | HTTKDM4EMAPTRAB9ANPC1 | |
| SCHEMBL22354795 | 0.65 | KCNH2 (0.46) | HTTKDM4EMAPTRAB9ANPC1 |
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 |