Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301767 | 0.80 | RPS6KB1 (0.42) | MKNK2ALDH1A1MAP4K4PIM1 | |
| SCHEMBL11304382 | 0.78 | HDAC8 (0.38) | ABL1RIN1TDP1ALDH1A1 | |
| SCHEMBL11298752 | 0.77 | HDAC8 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL11296532 | 0.77 | SLC6A3 (0.40) | GAAGHSRALDH1A1TACR1L3MBTL1 | |
| SCHEMBL11303328 | 0.67 | HDAC8 (0.37) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL12494089 | 0.66 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL11306322 | 0.65 | HDAC6 (0.37) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL11301754 | 0.65 | PSEN1 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL11302647 | 0.65 | HDAC6 (0.43) | — | |
| SCHEMBL11301756 | 0.64 | PARP1 (0.39) | PARP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |