Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGAV | P06756 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30513615 | 1.00 | PIK3CA (0.51) | PIK3CAMTORMAOAMAOBITGB3 | |
| SCHEMBL28635668 | 0.87 | MAPKAPK2 (0.50) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL28637102 | 0.86 | MAOA (0.63) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL30513603 | 0.86 | KMT2A (0.56) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL28637137 | 0.86 | KMT2A (0.56) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL28652875 | 0.84 | GRM4 (0.48) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL30513604 | 0.84 | GRM4 (0.48) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL30513599 | 0.83 | KMT2A (0.63) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL28641996 | 0.83 | KMT2A (0.63) | MAOAMAOBITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL4366437 | 0.81 | MAPKAPK2 (0.68) | MAOAMAOBMAPKAPK2CYP3A4KCNH2 |
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 |