Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978536 | 0.91 | HDAC4 (0.49) | ALDH1A1HPGDTSHRPDE4BHDAC4 | |
| SCHEMBL29978176 | 0.89 | GRM5 (0.45) | GRM5HPGDHDAC4HDAC6HDAC2 | |
| SCHEMBL29977987 | 0.88 | SMN1; SMN2 (0.50) | GRM5ALDH1A1HPGDTSHRHDAC4 | |
| SCHEMBL29978514 | 0.88 | GRM5 (0.46) | GRM5PDE4BHDAC4HDAC6HDAC2 | |
| SCHEMBL29978387 | 0.88 | HDAC4 (0.50) | GRM5HDAC4HDAC6HDAC2HDAC8 | |
| SCHEMBL29978406 | 0.87 | NPC1 (0.53) | HDAC6HDAC8NAMPTNPC1RAB9A | |
| SCHEMBL29978512 | 0.87 | GAA (0.46) | ALDH1A1GAAHPGDTSHRHDAC4 | |
| SCHEMBL29978344 | 0.86 | HDAC4 (0.39) | ALDH1A1HPGDTSHRHDAC4HDAC6 | |
| SCHEMBL29978368 | 0.84 | HDAC4 (0.40) | ALDH1A1HPGDTSHRHDAC4HDAC6 | |
| SCHEMBL29978909 | 0.84 | HDAC4 (0.48) | HDAC4HDAC6HDAC2HDAC8 |
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 |