Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | NQO2 | P16083 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | AHR | P35869 | 2/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.55 |
| ▸ | TTR | P02766 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30219723 | 0.82 | MEN1 (0.63) | CYP1A1CYP1B1NQO2RELAAPP | |
| SCHEMBL28824643 | 0.80 | CYP1A1 (0.63) | PTGS2PTGS1CYP1A1CYP1B1MAPT | |
| SCHEMBL699458 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL13790336 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL4881152 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL631998 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL699457 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL14950253 | 0.77 | RELA (0.81) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| SCHEMBL3394328 | 0.76 | APP (0.62) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 | |
| Resveratrol 4'-Methyl Ether SCHEMBL563262 | 0.76 | PTGS2 (1.00) | PTGS2KDM4EPTGS1CYP1A1CYP1B1 |
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-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | claimed |
| CN-110698413-B | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 中国海洋大学 | 2023-01-24 | — | — | CN | disclosed |
| CN-105198820-B | A kind of substituted pyrimidines compound of the group containing isothiourea and its preparation method and application | 中国海洋大学 | 2019-10-01 | — | — | CN | disclosed |
| CN-105198820-A | Substituted pyrimidine compound containing isothiourea perssad and preparation method and application thereof | OCEAN UNIV CHINA | 2015-12-30 | — | — | CN | disclosed |