Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL29977987 | 0.90 | SMN1; SMN2 (0.50) | GRM5HDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29978514 | 0.90 | GRM5 (0.46) | GRM5HDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29978301 | 0.90 | HDAC4 (0.52) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978387 | 0.90 | HDAC4 (0.50) | GRM5HDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29978183 | 0.89 | GRM5 (0.47) | GRM5HDAC4HDAC6HDAC8HDAC2 | |
| SCHEMBL29978359 | 0.86 | HDAC6 (0.48) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978909 | 0.86 | HDAC4 (0.48) | HDAC4HDAC6HDAC8HDAC2HDAC1 | |
| SCHEMBL29978038 | 0.86 | HPGD (0.49) | HDAC4HDAC6HDAC8HDAC2NAMPT | |
| SCHEMBL29978582 | 0.85 | HDAC4 (0.50) | HDAC4HDAC6HDAC8HDAC2HPGD | |
| SCHEMBL29978914 | 0.85 | 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 |