Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 3/20 | 0.37 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1308954 | 1.00 | CNR2 (0.41) | CNR2ALDH1A1KDM4EHPGDCNR1 | |
| SCHEMBL1307399 | 0.92 | KDM4E (0.46) | CNR2ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL1307404 | 0.92 | KDM4E (0.46) | CNR2ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL29488467 | 0.90 | KDM4E (0.39) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL1306605 | 0.90 | KDM4E (0.39) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL1306601 | 0.90 | KDM4E (0.39) | ALDH1A1KDM4EHPGDTDP1TSHR | |
| SCHEMBL22403025 | 0.88 | HTR1B (0.45) | CNR2ALDH1A1KDM4EHPGDCNR1 | |
| SCHEMBL1306561 | 0.86 | CNR2 (0.47) | CNR2ALDH1A1KDM4EHPGDCNR1 | |
| SCHEMBL1306558 | 0.86 | CNR2 (0.47) | CNR2ALDH1A1KDM4EHPGDCNR1 | |
| SCHEMBL1308956 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDTDP1TSHR |
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 |