Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 6/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 4/20 | 0.43 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28640116 | 0.91 | PTK2 (0.43) | PTK2PTK2BPRKCQMAOAMAOB | |
| SCHEMBL28651280 | 0.82 | QPCT (0.57) | PTK2PTK2BMAOAMAOBITGB3 | |
| SCHEMBL6258964 | 0.79 | SYK (0.47) | PTK2PTK2BBACE1SYKNPC1 | |
| SCHEMBL28637102 | 0.78 | MAOA (0.63) | MAOAMAOBITGB3ITGAVMAPKAPK2 | |
| SCHEMBL30513601 | 0.78 | MAPT (0.56) | PTK2MAOAMAOBITGB3ITGAV | |
| SCHEMBL28641831 | 0.78 | MAPT (0.56) | PTK2MAOAMAOBITGB3ITGAV | |
| SCHEMBL28644056 | 0.77 | PTPN11 (0.48) | PTK2PTK2BMAOAMAOBITGB3 | |
| SCHEMBL4907478 | 0.76 | NLRP3 (0.55) | PRKCQMAOABACE1JAK2MAPKAPK2 | |
| SCHEMBL28653147 | 0.76 | PIK3CA (0.51) | MAOAMAOBITGB3ITGAVMAPKAPK2 | |
| SCHEMBL28925293 | 0.76 | MAPKAPK2 (0.50) | MAOAMAOBITGB3ITGAVMAPKAPK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112759549-B | 3-substituted amino-4- ((substituted pyridinyl) amino) cyclobut-3-ene-1, 2-dione compounds | 中国医学科学院药物研究所 | 2023-07-28 | — | — | CN | disclosed |
| CN-112759549-A | 3-substituted amino-4- ((substituted pyridyl) amino) cyclobut-3-ene-1, 2-diones | 中国医学科学院药物研究所 | 2021-05-07 | — | — | CN | disclosed |