Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | DDX3X | O00571 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675770 | 0.86 | NLRP3 (0.50) | ALDH1A1CA1CA2NPC1 | |
| SCHEMBL23991325 | 0.84 | POLB (0.59) | ALDH1A1L3MBTL1KMT2ASMN1; SMN2POLB | |
| SCHEMBL4513449 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL964346 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL19675843 | 0.82 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3211729 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2337206 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14587039 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14621936 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19675878 | 0.78 | PDK1 (0.56) | L3MBTL1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2840080-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2017-12-06 | — | — | EP | disclosed |