Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.58 |
| ▸ | BACE1 | P56817 | 4/20 | 0.58 |
| ▸ | MMP1 | P03956 | 3/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.48 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8317781 | 0.91 | GSK3B (0.57) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL8317289 | 0.91 | MMP1 (0.55) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL8320471 | 0.87 | GSK3B (0.52) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL2776601 | 0.86 | GSK3B (0.76) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL2776603 | 0.86 | GSK3B (0.76) | GSK3BBACE1MMP1MAOBNPC1 | |
| Hydrochloric Acid SCHEMBL8077944 | 0.80 | GSK3B (0.54) | GSK3BBACE1MMP1MAOBNPC1 | |
| Hydrochloric Acid SCHEMBL8077951 | 0.80 | GSK3B (0.54) | GSK3BBACE1MMP1MAOBNPC1 | |
| Hydrochloric Acid SCHEMBL8077948 | 0.79 | BACE1 (0.51) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL8317285 | 0.79 | GSK3B (0.55) | GSK3BBACE1MMP1MAOBNPC1 | |
| SCHEMBL1481113 | 0.77 | BACE1 (0.61) | GSK3BBACE1MAOBSMN1; SMN2KDM4E |
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 |