Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1313141 | 0.78 | ALDH1A1 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL10383900 | 0.74 | ALDH1A1 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL15085652 | 0.73 | ALDH1A1 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17408849 | 0.73 | ALDH1A1 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL29952878 | 0.73 | ERN1 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL28763301 | 0.73 | ALDH1A1 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6015165 | 0.73 | ALDH1A1 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8153258 | 0.73 | TDP1 (0.40) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2457983 | 0.73 | ERN1 (0.52) | CYP3A4CYP1A2CYP2D6ALDH1A1TSHR | |
| SCHEMBL11870495 | 0.72 | ALDH1A1 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19ALDH1A1 |
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-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |