Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.43 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL21231245 | 0.95 | ALDH1A1 (0.60) | ALDH1A1MAPTMCL1L3MBTL1GNAI3 | |
| SCHEMBL21477763 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTMCL1L3MBTL1HTT | |
| SCHEMBL21472705 | 0.84 | ALDH1A1 (0.45) | ALDH1A1MAPTMCL1L3MBTL1HRH4 | |
| SCHEMBL24806587 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTMCL1L3MBTL1HPGD | |
| SCHEMBL21231247 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPTMCL1L3MBTL1HTT | |
| SCHEMBL21231248 | 0.79 | ALDH1A1 (0.65) | ALDH1A1MAPTMCL1L3MBTL1HRH4 | |
| SCHEMBL21230893 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPTMCL1L3MBTL1HTT | |
| SCHEMBL21842780 | 0.77 | MAPT (0.59) | ALDH1A1MAPTMCL1L3MBTL1TSHR | |
| SCHEMBL24807518 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNATSHR | |
| SCHEMBL10078098 | 0.72 | KDM4E (0.39) | ALDH1A1MAPTGNAI3GNAO1GNAI1 |
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-2007048767-A1 | SQUARIC ACID DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-03 | — | — | WO | disclosed |