Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18824397 | 1.00 | HDAC8 (0.52) | HDAC8THRBHDAC6PIK3CAROCK2 | |
| SCHEMBL18824399 | 0.82 | HDAC8 (0.56) | HDAC8THRBPIK3CAROCK2GRK2 | |
| SCHEMBL20550180 | 0.75 | HDAC6 (0.65) | HDAC8HDAC6HDAC1HDAC2HDAC3 | |
| SCHEMBL18824378 | 0.72 | TACR1 (0.44) | HDAC8HDAC6ALDH1A1LMNAHDAC1 | |
| SCHEMBL18824379 | 0.72 | TACR1 (0.44) | HDAC8HDAC6ALDH1A1LMNAHDAC1 | |
| SCHEMBL28274779 | 0.69 | SMN1; SMN2 (0.62) | HDAC8HDAC6ALDH1A1LMNAHDAC1 | |
| SCHEMBL18422857 | 0.68 | CYP2C9 (0.50) | HDAC6HDAC1HDAC2TSHRKMT2A | |
| SCHEMBL3456051 | 0.68 | CYP2C9 (0.50) | HDAC6HDAC1HDAC2TSHRKMT2A | |
| SCHEMBL3456053 | 0.68 | CYP2C9 (0.50) | HDAC6HDAC1HDAC2TSHRKMT2A | |
| SCHEMBL5640575 | 0.68 | RAB9A (0.71) | HDAC6ALDH1A1HDAC1TSHRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3370525-A1 | SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017076740-A1 | SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI | BASF SE (DE) | 2017-05-11 | — | — | WO | disclosed |