Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | NR2E1 | Q9Y466 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16487392 | 0.90 | HPRT1 (0.47) | KDM4EALDH1A1CYP2A6NR2E1CYP1A2 | |
| SCHEMBL22661061 | 0.84 | ADRA2A (0.36) | KDM4EALDH1A1CYP2A6NR2E1CYP1A2 | |
| SCHEMBL6744741 | 0.82 | NQO1 (0.35) | KDM4EALDH1A1CYP1A2MAPTTSHR | |
| SCHEMBL2961097 | 0.81 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL6751507 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL17835374 | 0.81 | CYP1A2 (0.39) | KDM4EALDH1A1CYP2A6CYP1A2CYP2C9 | |
| SCHEMBL6748612 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP1A2TSHRHSD17B10TDP1 | |
| SCHEMBL15067861 | 0.78 | SLC6A4 (0.37) | ALDH1A1CYP2A6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15302884 | 0.78 | ALDH1A1 (0.43) | KDM4EALDH1A1CYP2A6CYP1A2CYP2C19 | |
| SCHEMBL15302524 | 0.77 | ALDH1A1 (0.32) | KDM4EALDH1A1CYP2A6CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015023001-A1 | NOVEL ORGANOPOLYSILOXANE, SURFACE TREATMENT AGENT COMPRISING THE SAME, RESIN COMPOSITION COMPRISING THE SAME, AND GELATINOUS PRODUCT OR CURED PRODUCT THEREOF | DOW CORNING TORAY CO., LTD. (JP) | 2015-02-19 | — | — | WO | disclosed |