Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29977870 | 0.93 | TAS1R3 (0.45) | TAS1R3TAS1R1TAS1R2ALDH1A1PKM | |
| SCHEMBL29978296 | 0.91 | NPC1 (0.50) | KDM4EHDAC6HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL29978402 | 0.89 | NPC1 (0.47) | HDAC6HDAC1HDAC8SMN1; SMN2MAPT | |
| SCHEMBL29978286 | 0.86 | CYP3A4 (0.44) | HDAC6HDAC1HDAC8SMN1; SMN2MAPT | |
| SCHEMBL29978522 | 0.85 | MEN1 (0.41) | ALDH1A1KDM4EHDAC6HDAC1HDAC8 | |
| SCHEMBL29978892 | 0.85 | RAB9A (0.41) | TAS1R3TAS1R1TAS1R2HDAC6HDAC1 | |
| SCHEMBL29978750 | 0.85 | POLB (0.46) | TAS1R3TAS1R1TAS1R2HDAC6HDAC1 | |
| SCHEMBL29977979 | 0.84 | HDAC4 (0.47) | HDAC6HDAC1HDAC8SMN1; SMN2NPC1 | |
| SCHEMBL29977966 | 0.83 | NAMPT (0.43) | KDM4EHDAC6MAPTHDAC4 | |
| SCHEMBL29978604 | 0.83 | HDAC4 (0.50) | HDAC6HDAC1HDAC8HDAC4HDAC2 |
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 |