Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11951583 | 0.84 | KMT2A (0.45) | CYP3A4CYP26A1CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL13141341 | 0.81 | NQO1 (0.48) | CYP3A4XDHALDH1A1TSHRPDK2 | |
| SCHEMBL18713516 | 0.79 | ALDH1A1 (0.56) | CYP3A4CYP26A1CYP2C9ALDH1A1TSHR | |
| SCHEMBL21164277 | 0.77 | FFAR1 (0.40) | CYP3A4CYP26A1CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL19919286 | 0.76 | MAPT (0.45) | CYP3A4CYP2C9CYP2C19ALDH1A1TSHR | |
| SCHEMBL1542949 | 0.75 | ALDH1A1 (0.52) | XDHALDH1A1PDK2NQO1MEN1 | |
| SCHEMBL9502138 | 0.73 | LTA4H (0.57) | TSHRNQO1TDP1 | |
| SCHEMBL14033981 | 0.73 | SCN4A (0.39) | CYP3A4CYP2C9CYP2C19XDHPDK2 | |
| SCHEMBL14033181 | 0.73 | LTA4H (0.50) | CYP17A1CYP2C9CYP2C19PDK2MEN1 | |
| SCHEMBL22823697 | 0.73 | FFAR1 (0.53) | ALDH1A1TSHRSMN1; SMN2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102329267-A | 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists | LILLY CO ELI | 2012-01-25 | — | — | CN | disclosed |
| CN-102311387-A | 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists | LILLY CO ELI | 2012-01-11 | — | — | CN | disclosed |
| CN-1934088-A | As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * | LILLY CO ELI (US) | 2007-03-21 | — | — | CN | disclosed |