Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28442375 | 0.95 | FAAH (0.49) | HDAC3HDAC1HDAC2FAAHEPHX1 | |
| SCHEMBL30836086 | 0.89 | CES2 (0.47) | HDAC3HDAC1HDAC2FAAHEPHX1 | |
| SCHEMBL28452948 | 0.89 | CES2 (0.47) | HDAC3HDAC1HDAC2FAAHEPHX1 | |
| SCHEMBL30836057 | 0.84 | CES2 (0.49) | EPHX1ALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL1043810 | 0.84 | CES2 (0.49) | EPHX1ALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL14680081 | 0.79 | TSHR (0.63) | TSHRALDH1A1LMNANPC1RAB9A | |
| SCHEMBL9245980 | 0.79 | TSHR (0.63) | TSHRALDH1A1LMNANPC1RAB9A | |
| SCHEMBL14673323 | 0.79 | TSHR (0.63) | TSHRALDH1A1LMNANPC1RAB9A | |
| SCHEMBL31575807 | 0.79 | HDAC3 (0.56) | HDAC3HDAC1HDAC2TSHRALDH1A1 | |
| SCHEMBL15018577 | 0.78 | CES2 (0.51) | EPHX1ALDH1A1LMNASMN1; SMN2CYP1A2 |
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 |