Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29159290 | 0.79 | MAPT (0.53) | TSHRALDH1A1HTTMAPTKDM4E | |
| SCHEMBL11085392 | 0.77 | HTR2A (0.38) | TSHRALDH1A1HTTHTR2AHTR2C | |
| SCHEMBL30778234 | 0.76 | PTGDR2 (0.35) | TSHRALDH1A1HTTMAPTHTR2A | |
| SCHEMBL9888403 | 0.76 | SMN1; SMN2 (0.48) | TSHRALDH1A1HTTKDM4EHTR2A | |
| SCHEMBL19419845 | 0.76 | CYP1A2 (0.47) | TSHRALDH1A1HTTMAPTKDM4E | |
| SCHEMBL9000665 | 0.74 | CHRM2 (0.43) | ALDH1A1HTTHTR2AHTR2CADRA1A | |
| SCHEMBL29184899 | 0.74 | CYP2C19 (0.39) | TSHRALDH1A1KDM4EHTR2AHTR2C | |
| SCHEMBL30778204 | 0.73 | MAPT (0.35) | TSHRALDH1A1HTTMAPT | |
| SCHEMBL30778194 | 0.73 | MAPT (0.43) | TSHRALDH1A1HTTMAPTSMN1; SMN2 | |
| SCHEMBL30778250 | 0.73 | MAPT (0.47) | TSHRALDH1A1HTTMAPTKDM4E |
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-117603027-A | Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same | 重庆理工大学 | 2024-02-27 | — | — | CN | disclosed |