Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29184899 | 0.81 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL11085307 | 0.79 | TSHR (0.41) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL1456006 | 0.79 | ALDH1A1 (0.38) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL11085392 | 0.76 | HTR2A (0.38) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL9000665 | 0.73 | CHRM2 (0.43) | CYP2C19ALDH1A1HTR2AHTR2CADRA1A | |
| SCHEMBL27936818 | 0.73 | TSHR (0.42) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL29161516 | 0.72 | CYP2D6 (0.41) | CYP2C19ATMALDH1A1HTR2AHTR2C | |
| SCHEMBL30778217 | 0.72 | TSHR (0.39) | CYP2C19CYP1A2CYP2C9TSHRATM | |
| SCHEMBL15875035 | 0.71 | CHRM2 (0.44) | ATMSIGMAR1 | |
| SCHEMBL9277669 | 0.71 | CHRM2 (0.44) | ATMSIGMAR1 |
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-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |