Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.56 |
| ▸ | IDH1 | O75874 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | SCD | O00767 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30519428 | 1.00 | PTK2 (0.59) | PTK2HDAC1IDH1HDAC6HDAC3 | |
| SCHEMBL11248670 | 0.84 | HIF1A (0.58) | HDAC1HDAC6HDAC3HDAC2HDAC8 | |
| SCHEMBL11253249 | 0.80 | TRPV1 (0.64) | CA1CA2NPC1HIF1A | |
| SCHEMBL11510712 | 0.78 | HDAC4 (0.54) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL8234606 | 0.77 | HTT (0.62) | NPC1 | |
| SCHEMBL30687018 | 0.77 | FFAR1 (0.65) | HDAC4MEF2D | |
| SCHEMBL30687014 | 0.77 | FFAR1 (0.65) | HDAC4MEF2D | |
| SCHEMBL29129870 | 0.77 | FFAR1 (0.65) | HDAC4MEF2D | |
| SCHEMBL30687017 | 0.76 | FFAR1 (0.50) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL3241843 | 0.76 | NPC1 (0.63) | NPC1 |
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-116554153-A | Tertiary amide compounds and medical use thereof | 中国人民解放军军事科学院军事医学研究院 | 2023-08-08 | — | — | CN | disclosed |