Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23745122 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL22540338 | 0.73 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL22540271 | 0.73 | HDAC3 (0.33) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL27355976 | 0.72 | KMT2A (0.44) | MEN1KMT2ANPSR1THRBALDH1A1 | |
| SCHEMBL2933109 | 0.71 | HDAC3 (0.46) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL18509918 | 0.71 | — | — | |
| SCHEMBL1643947 | 0.71 | HDAC3 (0.63) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL24254457 | 0.70 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL13543497 | 0.69 | HDAC3 (0.55) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21782876 | 0.69 | CTSD (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |