Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.49 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.49 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.49 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.49 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.49 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.49 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31132281 | 0.83 | KDM1A (0.62) | KDM1AMAOAMAOBTUBB4ATUBB | |
| SCHEMBL29941308 | 0.83 | PLG (0.63) | CYP1A2CYP2A6KDM1AMAOAMAOB | |
| SCHEMBL21067278 | 0.83 | PLG (0.63) | CYP1A2CYP2A6KDM1AMAOAMAOB | |
| SCHEMBL27910201 | 0.83 | KDM1A (0.62) | KDM1AMAOAMAOBTUBB4ATUBB | |
| SCHEMBL11064728 | 0.83 | KDM1A (0.72) | KDM1AMAOAMAOBSLC6A4SLC6A3 | |
| SCHEMBL11064726 | 0.83 | KDM1A (0.72) | KDM1AMAOAMAOBSLC6A4SLC6A3 | |
| SCHEMBL7347108 | 0.77 | PLAU (0.72) | KDM1AMAOAMAOBPLGPLAU | |
| SCHEMBL7413248 | 0.73 | TUBB4A (0.50) | KDM1AMAOAMAOBSLC6A4SLC6A2 | |
| SCHEMBL7411406 | 0.73 | TUBB4A (0.50) | KDM1AMAOAMAOBSLC6A4SLC6A2 | |
| SCHEMBL7414018 | 0.73 | TUBB4A (0.50) | KDM1AMAOAMAOBSLC6A4SLC6A2 |
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-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |