Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28975793 | 0.92 | PIN1 (0.48) | PIN1ALDH1A1HTTKMT2AHDAC3 | |
| SCHEMBL28975814 | 0.92 | PIN1 (0.50) | PIN1KMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL28975813 | 0.89 | HTT (0.56) | PIN1HTTKMT2AMEN1NPC1 | |
| SCHEMBL28975818 | 0.88 | PIN1 (0.53) | PIN1HTTHDAC3HDAC1HDAC2 | |
| SCHEMBL28975803 | 0.88 | TAS1R3 (0.51) | PIN1ALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL28975789 | 0.87 | ALDH1A1 (0.49) | ALDH1A1LMNAHTTKMT2AHSP90AA1 | |
| SCHEMBL28975791 | 0.85 | SMN1; SMN2 (0.42) | PIN1ALDH1A1KMT2AHDAC3HDAC1 | |
| SCHEMBL28975815 | 0.83 | NPC1 (0.43) | PIN1KMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL28975822 | 0.83 | TAS1R3 (0.47) | PIN1HDAC3HDAC1HDAC2NPC1 | |
| SCHEMBL28975805 | 0.82 | HDAC3 (0.39) | PIN1ALDH1A1KMT2AHDAC3HDAC1 |
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 |