Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3932054 | 0.94 | CYP3A4 (0.44) | CYP3A4HTTFFAR4RXRARXRB | |
| Ammonia Solution, Strong SCHEMBL3929524 | 0.93 | CYP3A4 (0.43) | CYP3A4HTTFFAR4RXRARXRB | |
| Trifluoroacetic Acid SCHEMBL30151164 | 0.86 | TACR1 (0.40) | FFAR4PPARATHRATHRBPPARD | |
| SCHEMBL4974901 | 0.85 | TACR1 (0.43) | TACR1CYP2D6TSHR | |
| Trifluoroacetic Acid SCHEMBL30151192 | 0.85 | THRA (0.40) | CYP3A4FFAR4PPARATHRATHRB | |
| Trifluoroacetic Acid SCHEMBL30151186 | 0.85 | PPARA (0.38) | FFAR4PPARATHRATHRBPPARD | |
| Trifluoroacetic Acid SCHEMBL30151159 | 0.85 | RXRA (0.47) | HTTFFAR4RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL4974896 | 0.84 | IDO1 (0.43) | TACR1CYP2D6TSHR | |
| SCHEMBL17310946 | 0.82 | RXRA (0.51) | FFAR4RXRARXRBRXRGTHRA | |
| SCHEMBL27752579 | 0.82 | CYP3A4 (0.39) | CYP3A4HTTFFAR4RXRARXRB |
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-115551846-A | 1,4,5,6-tetrahydropyrimidin-2-amine derivatives | ＵＢＥ株式会社 | 2022-12-30 | — | — | CN | disclosed |