Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL474250 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL29192763 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL28479254 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL27351171 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| Hydrochloric Acid SCHEMBL29241928 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL16053155 | 0.93 | CYP3A4 (0.38) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL31568158 | 0.89 | CYP3A4 (0.35) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL28145951 | 0.89 | CYP3A4 (0.35) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL1767611 | 0.89 | CYP3A4 (0.35) | CYP3A4TDP1HTR2ATAAR1LOXL2 | |
| SCHEMBL1466232 | 0.89 | CYP3A4 (0.35) | CYP3A4TDP1HTR2ATAAR1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1686979-A | Cross couple method for synthesizing compound of liquid crystal by 2-2 phenyl palladium phosphine ethylamine catalysis | UNIV DALIAN TECH (CN) | 2005-10-26 | — | — | CN | claimed |