Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | MIF | P14174 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | YES1 | P07947 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23005350 | 0.85 | CYP3A4 (0.42) | MAOBMAOACYP3A4KDM4EALDH1A1 | |
| SCHEMBL2676035 | 0.82 | MAOA (0.50) | MAOBMAOACYP3A4KDM4EALDH1A1 | |
| SCHEMBL8404596 | 0.81 | CYP19A1 (0.41) | MAOBALDH1A1CYP19A1 | |
| SCHEMBL11455497 | 0.75 | CYP19A1 (0.44) | MAOBCYP3A4KDM4EALDH1A1CYP19A1 | |
| SCHEMBL27963598 | 0.74 | MAOA (0.42) | MAOBMAOACYP3A4KDM4EALDH1A1 | |
| SCHEMBL17403175 | 0.73 | MAOB (0.42) | MAOBMAOACYP3A4KDM4EALDH1A1 | |
| SCHEMBL29474944 | 0.72 | PKM (0.42) | MAOBCYP19A1 | |
| SCHEMBL294470 | 0.72 | PKM (0.42) | MAOBCYP19A1 | |
| SCHEMBL30103333 | 0.71 | S100B (0.40) | CYP3A4KDM4EALDH1A1CYP19A1 | |
| SCHEMBL26776963 | 0.71 | CYP3A4 (0.71) | MAOBMAOACYP3A4KDM4EALDH1A1 |
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-112645918-B | AIE type coumarin derivative fluorescent probe and application thereof in cyanide ion detection | 南京师范大学 | 2022-05-03 | — | — | CN | claimed |
| CN-112645918-B | AIE type coumarin derivative fluorescent probe and application thereof in cyanide ion detection | 南京师范大学 | 2022-05-03 | — | — | CN | disclosed |