Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 6/20 | 0.47 |
| ▸ | MAOA | P21397 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL30185052 | 1.00 | CYP19A1 (0.54) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL25285812 | 0.85 | CYP19A1 (0.50) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL29965252 | 0.85 | CYP19A1 (0.50) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL31168160 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL5145150 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL1374021 | 0.83 | CYP19A1 (0.67) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL4104432 | 0.83 | CYP19A1 (0.47) | CYP19A1MAOBMAOAALDH1A1SRC | |
| SCHEMBL13908822 | 0.81 | CYP19A1 (0.65) | CYP19A1MAOBMAOAALDH1A1HPGD | |
| SCHEMBL6856729 | 0.81 | SRC (0.56) | MAOBMAOAALDH1A1SRCMEN1 | |
| SCHEMBL30631693 | 0.81 | SRC (0.60) | MAOBMAOAALDH1A1HPGDSRC |
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-113817166-B | Acid-base co-fusion based imidazole dinitrile resin and preparation method thereof | 四川大学 | 2023-01-17 | — | — | CN | disclosed |
| CN-113817166-A | Acid-base co-fusion based imidazole dinitrile resin and preparation method thereof | 四川大学 | 2021-12-21 | — | — | CN | disclosed |