Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.60 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.58 |
| ▸ | FEN1 | P39748 | 1/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.58 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | SI | P14410 | 1/20 | 0.55 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.55 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12050743 | 0.84 | S1PR4 (0.63) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL15498719 | 0.84 | ERCC5 (0.61) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL15511668 | 0.82 | S1PR4 (0.61) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL5784045 | 0.82 | PTPN1 (0.82) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL4424883 | 0.81 | HDAC8 (0.55) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL5452549 | 0.81 | HDAC3 (0.56) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL9484980 | 0.80 | ALDH1A1 (0.71) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL307282 | 0.80 | ALDH1A1 (0.92) | ALDH1A1HPGDKDM4ENPSR1ERCC5 | |
| SCHEMBL4423968 | 0.80 | KDM4E (0.60) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL23091178 | 0.80 | CYP1A2 (0.65) | ALDH1A1HPGDKDM4ELMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059582-A2 | SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES | NUPOTENTIAL, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2008101186-A1 | INHIBITORS FOR HDAC8 | THE J. DAVID GLADSTONE INSTITUTES (US) | 2008-08-21 | — | — | WO | disclosed |