Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1307346 | 0.88 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1307343 | 0.88 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1306562 | 0.87 | HPGD (0.44) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1306952 | 0.86 | CNR2 (0.46) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1306953 | 0.86 | CNR2 (0.46) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1306543 | 0.85 | HDAC3 (0.42) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL29488463 | 0.85 | HDAC3 (0.42) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1306548 | 0.85 | HDAC3 (0.42) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1307115 | 0.84 | ALDH1A1 (0.45) | ALDH1A1TDP1KDM4EHPGDKMT2A | |
| SCHEMBL1307181 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TDP1KDM4EHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8053435-B2 | Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-11-08 | — | — | US | disclosed |