Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15018577 | 1.00 | CES2 (0.51) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL30836057 | 0.88 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL1043810 | 0.88 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL23044002 | 0.86 | CES2 (0.61) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL15947827 | 0.86 | PTGS1 (0.56) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL5729788 | 0.84 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL28446858 | 0.84 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL30523034 | 0.84 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL1760926 | 0.84 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT | |
| SCHEMBL8237310 | 0.84 | CES2 (0.49) | CES2NPSR1SMN1; SMN2ACP3PNMT |
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-116003253-A | Preparation method of trifluoro-phenylpyrimidine intermediate 2- [3- (trifluoromethyl) phenyl ] dimethyl malonate | 上海试四化学品有限公司 | 2023-04-25 | — | — | CN | claimed |