Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | 0.81 | EP300 (0.44) | P2RX7KMT2AMEN1ALDH1A1GSK3A | |
| SCHEMBL19746431 | 0.77 | GRM2 (0.41) | P2RX7KMT2AMEN1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL6011092 | 0.75 | HSD17B10 (0.51) | KMT2AALDH1A1KDM4ELMNATSHR | |
| SCHEMBL19747231 | 0.74 | HTT (0.39) | P2RX7KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL19747232 | 0.74 | HTT (0.39) | P2RX7KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL2865257 | 0.73 | KMT2A (0.40) | KMT2AMEN1ALDH1A1KDM4ELMNA | |
| SCHEMBL19746869 | 0.73 | L3MBTL1 (0.39) | P2RX7KMT2ACASRKDM4EGSK3A | |
| SCHEMBL19746867 | 0.73 | NOS1 (0.39) | P2RX7KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL19746868 | 0.73 | NOS1 (0.39) | P2RX7KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL591865 | 0.72 | DRD2 (0.44) | KMT2AALDH1A1KDM4ELMNATSHR |
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 |