Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28450746 | 0.95 | HDAC3 (0.46) | FAAHHDAC3HDAC1HDAC2EPHX1 | |
| SCHEMBL28452948 | 0.92 | CES2 (0.47) | FAAHHDAC3HDAC1HDAC2EPHX1 | |
| SCHEMBL30836086 | 0.92 | CES2 (0.47) | FAAHHDAC3HDAC1HDAC2EPHX1 | |
| SCHEMBL1043810 | 0.86 | CES2 (0.49) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL30836057 | 0.86 | CES2 (0.49) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL30368489 | 0.80 | CES2 (0.51) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL15018577 | 0.80 | CES2 (0.51) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL11432112 | 0.80 | EPHX1 (0.52) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL4750069 | 0.80 | CES2 (0.46) | EPHX1CES2PNMTCYP1A2CYP3A4 | |
| SCHEMBL10727655 | 0.79 | ALDH1A1 (0.43) | EPHX1CES2PNMTCYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111592539-B | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2022-11-15 | — | — | CN | claimed |
| CN-111592539-A | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2020-08-28 | — | — | CN | claimed |
| CN-111592539-B | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2022-11-15 | — | — | CN | disclosed |
| CN-111592539-A | Preparation method of trifluoro-benzene pyrimidine | 江西农业大学 | 2020-08-28 | — | — | CN | disclosed |