Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNOT7 | Q9UIV1 | 9/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19746853 | 1.00 | CNOT7 (0.44) | CNOT7HTTALDH1A1KMT2AADORA2A | |
| SCHEMBL19747084 | 0.87 | CNOT7 (0.48) | CNOT7HTTALDH1A1KMT2AADORA2A | |
| SCHEMBL19746369 | 0.82 | CNOT7 (0.49) | CNOT7HTTALDH1A1KMT2AADORA2A | |
| SCHEMBL31333072 | 0.79 | ADRA1D (0.48) | CNOT7ADRA1DHTR1AHTR7 | |
| SCHEMBL19746854 | 0.77 | CNOT7 (0.47) | CNOT7HTTALDH1A1KMT2AADORA2A | |
| SCHEMBL19468944 | 0.76 | ADORA2A (0.50) | CNOT7HTTALDH1A1KMT2AADORA2A | |
| SCHEMBL19746198 | 0.76 | MCHR1 (0.43) | KMT2AADORA2AADRA1DHDAC6HDAC1 | |
| SCHEMBL19746200 | 0.76 | MCHR1 (0.43) | KMT2AADORA2AADRA1DHDAC6HDAC1 | |
| SCHEMBL19746867 | 0.75 | NOS1 (0.39) | CNOT7HTTALDH1A1KMT2AADRA1D | |
| SCHEMBL19746868 | 0.75 | NOS1 (0.39) | CNOT7HTTALDH1A1KMT2AADRA1D |
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 |