Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9416249 | 0.81 | CES2 (0.48) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL237978 | 0.78 | CES2 (0.52) | CES2CES1CA1CA2MAPT | |
| SCHEMBL5192809 | 0.76 | NPC1 (0.50) | CES2CES1CA1CA2MAPT | |
| SCHEMBL13571300 | 0.74 | CES2 (0.64) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL9416250 | 0.74 | MAPT (0.67) | CES2CES1HDAC3HDAC4HDAC1 | |
| P-Methoxy-Acetophenone SCHEMBL41285 | 0.73 | MAPT (0.70) | CES2CES1CA1CA2MAPT | |
| SCHEMBL10045847 | 0.73 | CES2 (0.56) | CES2CES1CA1CA2MAPT | |
| Acetic Acid SCHEMBL28394298 | 0.72 | CA1 (0.62) | CES2CES1HDAC3HDAC4HDAC1 | |
| SCHEMBL23743522 | 0.72 | CES2 (0.45) | CES2CES1CA1CA2MAPT | |
| SCHEMBL10908525 | 0.72 | HDAC3 (0.59) | CES2CES1HDAC3HDAC4HDAC1 |
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-1993022311-A1 | FUNGICIDAL 1,3,4-OXADIAZINES AND 1,3,4-THIADIAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-11-11 | — | — | WO | disclosed |