Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11526510 | 0.72 | PGK1 (0.40) | ALDH1A1HPGDKDM4EPDGFRBFGFR1 | |
| SCHEMBL11529826 | 0.71 | PDGFRB (0.39) | ALDH1A1HPGDKDM4EPDGFRBFGFR1 | |
| SCHEMBL8987552 | 0.70 | CYP3A4 (0.45) | ALDH1A1HPGDKDM4ETDP1PDGFRB | |
| SCHEMBL7122832 | 0.68 | ALPL (0.40) | ALDH1A1OPRM1KDM4ETDP1CYP1A2 | |
| SCHEMBL16145890 | 0.66 | ALDH1A1 (0.40) | ALDH1A1HPGDOPRM1KDM4ECYP1A2 | |
| SCHEMBL14354674 | 0.64 | HSP90AB1 (0.56) | ALDH1A1HPGDKDM4EPDGFRBFGFR1 | |
| SCHEMBL2648416 | 0.63 | CA12 (0.47) | HPGDKDM4ETDP1MAPTMEN1 | |
| SCHEMBL11529250 | 0.63 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EMAPTLMNA | |
| SCHEMBL11267126 | 0.63 | MEN1 (0.36) | ALDH1A1HPGDKDM4EMAPTCYP2C9 | |
| SCHEMBL28865080 | 0.63 | RAB9A (0.56) | ALDH1A1HPGDKDM4EMAPTMEN1 |
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-6586613-B1 | Compounds such as 5-(tert-butyldimethylsiloxy)-7,7-dimethyl -4(4-fluorophenyl)-3-(hydroxy-(4-trifluorophenyl)-methyl)-2-isopropyl -5,6,7,8-tetrahydronaphthalene, used as antagonists for cholesteryl ester transferase protein; hyperlipemia | BAYER AKTIENGELLSCHAFT (DE) | 2003-07-01 | — | — | US | disclosed |