Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | USP2 | O75604 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978228 | 0.93 | CYP3A4 (0.44) | CYP3A4USP2CYP2C9HIF1ACYP1A2 | |
| SCHEMBL29978070 | 0.92 | HDAC4 (0.41) | CYP3A4USP2CYP2C9HIF1ACYP1A2 | |
| SCHEMBL29977979 | 0.91 | HDAC4 (0.47) | CYP3A4USP2CYP2C9CYP1A2LMNA | |
| SCHEMBL29978402 | 0.91 | NPC1 (0.47) | CYP3A4CYP2C9CYP1A2LMNAMAPT | |
| SCHEMBL29978488 | 0.89 | NPC1 (0.39) | LMNAMAPTHTTHDAC4SMN1; SMN2 | |
| SCHEMBL29977949 | 0.87 | HDAC4 (0.51) | CYP3A4CYP2C9CYP1A2MAPTHDAC4 | |
| SCHEMBL29979015 | 0.87 | MEN1 (0.47) | LMNAMAPTHTTNPSR1HDAC4 | |
| SCHEMBL29977966 | 0.87 | NAMPT (0.43) | MAPTNPSR1HDAC4HDAC6TRPV1 | |
| SCHEMBL29979201 | 0.86 | GPR142 (0.45) | CYP3A4LMNAMAPTHTTNPSR1 | |
| SCHEMBL29978688 | 0.86 | RAB9A (0.46) | MAPTHDAC4SMN1; SMN2HDAC8HDAC6 |
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 |