Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11296509 | 0.80 | KDR (0.43) | SLC6A2SLC6A4KDM4EALDH1A1HPGD | |
| SCHEMBL11299962 | 0.80 | SLC6A4 (0.39) | SLC6A2SLC6A4KDM4EMEN1KMT2A | |
| SCHEMBL11294920 | 0.74 | KDR (0.39) | SLC6A2SLC6A4SLC6A3TP53KDR | |
| SCHEMBL11299107 | 0.74 | HTT (0.40) | SLC6A2SLC6A4KDM4EMEN1ALDH1A1 | |
| SCHEMBL30159581 | 0.74 | CREBBP (0.54) | KDM4EMEN1ALDH1A1HPGDTSHR | |
| SCHEMBL16881173 | 0.74 | CREBBP (0.54) | KDM4EMEN1ALDH1A1HPGDTSHR | |
| SCHEMBL28363673 | 0.73 | NOTUM (0.43) | SLC6A2SLC6A4KDM4EMEN1ALDH1A1 | |
| SCHEMBL15046545 | 0.70 | KIF11 (0.53) | KDM4EMEN1ALDH1A1HPGDTSHR | |
| SCHEMBL18361035 | 0.68 | NOTUM (0.46) | KDM4EMEN1ALDH1A1HPGDTSHR | |
| SCHEMBL11304997 | 0.67 | HDAC6 (0.33) | SLC6A2SLC6A4KDM4EMEN1ALDH1A1 |
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 |