Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 1/20 | 0.41 |
| ▸ | GCK | P35557 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | HTR1D | P28221 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27364359 | 0.78 | MAPT (0.47) | CA1CA2HSD11B1DRD2DRD3 | |
| SCHEMBL23763117 | 0.77 | RXRA (0.43) | RIPK2GCK | |
| SCHEMBL11945522 | 0.76 | CA1 (0.40) | CA1CA2CXCR2HSD11B1DRD2 | |
| SCHEMBL15720571 | 0.76 | LOXL2 (0.42) | CA1CA2HSD11B1HTR1DHTR1A | |
| SCHEMBL17310149 | 0.76 | CA1 (0.40) | CA1CA2CXCR2HSD11B1DRD2 | |
| SCHEMBL28741515 | 0.75 | HTR1D (0.40) | CA1CA2CXCR2HSD11B1DRD2 | |
| Hydrochloric Acid SCHEMBL28390156 | 0.73 | ALDH1A1 (0.43) | RIPK2KDM4ELMNAHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27931970 | 0.73 | ALDH1A1 (0.43) | RIPK2KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL23674532 | 0.73 | CA1 (0.39) | CA1CA2CXCR2HSD11B1DRD2 | |
| SCHEMBL30496425 | 0.72 | CCR1 (0.57) | — |
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-113692401-A | Process for producing aromatic amino acid derivative | 中外制药株式会社 | 2021-11-23 | — | — | CN | disclosed |