Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 12/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29977922 | 0.93 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9HPGDCYP2C19 | |
| SCHEMBL29978336 | 0.90 | HDAC6 (0.44) | ALDH1A1HDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29978387 | 0.88 | HDAC4 (0.50) | HTTHDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29977801 | 0.87 | HDAC4 (0.39) | ALDH1A1CYP2C9HPGDCYP2C19HDAC4 | |
| SCHEMBL29978301 | 0.86 | HDAC4 (0.52) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978176 | 0.86 | GRM5 (0.45) | CYP3A4HPGDHDAC4HDAC6HDAC8 | |
| SCHEMBL29978326 | 0.85 | HDAC4 (0.44) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978909 | 0.84 | HDAC4 (0.48) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978497 | 0.84 | HDAC4 (0.44) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29977967 | 0.83 | HDAC4 (0.50) | HDAC4HDAC6HDAC8HDAC2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022234470-A1 | NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI | PI INDUSTRIES LTD. (IN) | 2022-11-10 | — | — | WO | claimed |
| WO-2022234470-A1 | NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI | PI INDUSTRIES LTD. (IN) | 2022-11-10 | — | — | WO | disclosed |