Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746868 | 1.00 | NOS1 (0.39) | NOS1ADRA1DKMT2APOLBATM | |
| SCHEMBL19746869 | 0.76 | L3MBTL1 (0.39) | KMT2APOLBATMDAOHDAC1 | |
| SCHEMBL17554285 | 0.76 | EP300 (0.44) | NOS1KMT2APOLBATMDAO | |
| SCHEMBL19746852 | 0.75 | CNOT7 (0.44) | ADRA1DKMT2AHDAC1HDAC2ALDH1A1 | |
| SCHEMBL19746853 | 0.75 | CNOT7 (0.44) | ADRA1DKMT2AHDAC1HDAC2ALDH1A1 | |
| SCHEMBL19747232 | 0.75 | HTT (0.39) | KMT2APOLBATMDAOL3MBTL1 | |
| SCHEMBL19747231 | 0.75 | HTT (0.39) | KMT2APOLBATMDAOL3MBTL1 | |
| SCHEMBL19746198 | 0.75 | MCHR1 (0.43) | NOS1ADRA1DKMT2APOLBATM | |
| SCHEMBL19746200 | 0.75 | MCHR1 (0.43) | NOS1ADRA1DKMT2APOLBATM | |
| SCHEMBL19746414 | 0.73 | P2RX7 (0.46) | KMT2APOLBATMDAOMEN1 |
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 |