Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1225030 | 0.81 | CYP2D6 (0.39) | TSHRACP3CYP2D6HTR2ATAAR1 | |
| SCHEMBL10431411 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TSHRACP3PTPN1CA1 | |
| SCHEMBL28077691 | 0.72 | CYP2D6 (0.39) | CYP2D6HTR2ATAAR1LMNAKMT2A | |
| SCHEMBL28876518 | 0.72 | ACP3 (0.31) | ACP3 | |
| SCHEMBL27315794 | 0.72 | KMT2A (0.39) | ALDH1A1TSHRACP3CYP2D6IDO1 | |
| SCHEMBL21834945 | 0.70 | TSHR (0.46) | ALDH1A1TSHRACP3PTPN1CA1 | |
| SCHEMBL28825924 | 0.69 | CYP2D6 (0.37) | TSHRCYP2D6HTR2ATAAR1LMNA | |
| SCHEMBL11476137 | 0.69 | CYP2D6 (0.41) | CYP2D6LMNAKMT2AATML3MBTL1 | |
| SCHEMBL2433066 | 0.68 | EDNRB (0.40) | ALDH1A1CYP2D6LMNAMAPTKMT2A | |
| SCHEMBL25119768 | 0.68 | TSHR (0.44) | ALDH1A1TSHRACP3PTPN1CA1 |
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-112088151-A | Process for producing fluoromethyl derivative | 大金工业株式会社 | 2020-12-15 | — | — | CN | disclosed |