Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8313475 | 0.85 | ALDH1A1 (0.48) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8320373 | 0.83 | HDAC1 (0.57) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8322073 | 0.83 | HPGDS (0.48) | ALDH1A1POLBLMNAKMT2AMEN1 | |
| SCHEMBL8314172 | 0.80 | LMNA (0.47) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8322082 | 0.77 | ALDH1A1 (0.48) | ALDH1A1POLBKMT2AMEN1TDP1 | |
| SCHEMBL8318902 | 0.75 | ALDH1A1 (0.47) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8314608 | 0.74 | ALDH1A1 (0.55) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8317458 | 0.73 | PKM (0.49) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8317433 | 0.73 | HDAC3 (0.58) | ALDH1A1POLBMAPTLMNAKMT2A | |
| SCHEMBL8322250 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP2A6CYP2A13MAPTLMNA |
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-2004071401-A2 | HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-26 | — | — | WO | disclosed |