Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.37 |
| ▸ | HTR1B | P28222 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1307399 | 0.89 | KDM4E (0.46) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1307404 | 0.89 | KDM4E (0.46) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1306562 | 0.88 | HPGD (0.44) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1308954 | 0.86 | CNR2 (0.41) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1308955 | 0.86 | CNR2 (0.41) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1306601 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1306605 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL29488467 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1306596 | 0.84 | ADAMTS5 (0.39) | ALDH1A1KDM4EHPGDKMT2ATDP1 | |
| SCHEMBL1306597 | 0.84 | PLAAT3 (0.39) | ALDH1A1KDM4EHPGDKMT2ATDP1 |
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 |