Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 10/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 10/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28975778 | 0.92 | CCKBR (0.48) | TAS1R3TAS1R1PIN1HDAC3HDAC1 | |
| SCHEMBL28975793 | 0.91 | PIN1 (0.48) | TAS1R3TAS1R1PIN1HDAC3HDAC1 | |
| SCHEMBL28975814 | 0.86 | PIN1 (0.50) | TAS1R3TAS1R1PIN1HDAC3HDAC1 | |
| SCHEMBL28975813 | 0.83 | HTT (0.56) | PIN1NPC1RAB9A | |
| SCHEMBL28975797 | 0.83 | PIN1 (0.43) | PIN1HDAC3HDAC1HDAC2NPC1 | |
| SCHEMBL28975818 | 0.82 | PIN1 (0.53) | TAS1R3TAS1R1PIN1HDAC3HDAC1 | |
| SCHEMBL28975803 | 0.82 | TAS1R3 (0.51) | TAS1R3TAS1R1PIN1NPC1RAB9A | |
| SCHEMBL28975791 | 0.79 | SMN1; SMN2 (0.42) | PIN1HDAC3HDAC1HDAC2NPC1 | |
| SCHEMBL28975815 | 0.78 | NPC1 (0.43) | TAS1R3TAS1R1PIN1HDAC3HDAC1 | |
| SCHEMBL29250486 | 0.78 | SLC6A2 (0.44) | HDAC3HDAC1HDAC2NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115850111-A | Preparation method of nickel-catalyzed aliphatic amine containing gem-difluoroolefin structure | 天津师范大学 | 2023-03-28 | — | — | CN | disclosed |