Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 6/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9070549 | 0.78 | CLK4 (0.41) | HSD17B2DYRK1ACLK4MAOBCYP2D6 | |
| SCHEMBL6048529 | 0.77 | BACE1 (0.58) | SLC6A4SLC6A2SLC6A3GRM5CLK4 | |
| SCHEMBL7843209 | 0.76 | DYRK1A (0.45) | DYRK1ACLK4MAOBCYP2D6ALDH1A1 | |
| SCHEMBL3411791 | 0.76 | CYP1A1 (0.45) | DYRK1ACLK4MAOBCYP2D6 | |
| SCHEMBL5506754 | 0.76 | DYRK1A (0.45) | DYRK1ACLK4MAOBCYP2D6 | |
| Hydrochloric Acid SCHEMBL6048554 | 0.75 | BACE1 (0.57) | SLC6A4SLC6A2SLC6A3GRM5CLK4 | |
| SCHEMBL9430884 | 0.75 | DYRK1A (0.44) | DYRK1ACLK4MAOBCYP2D6 | |
| SCHEMBL2377417 | 0.75 | HDAC4 (0.55) | DYRK1ACLK4CYP2D6 | |
| SCHEMBL4090309 | 0.71 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3HTR2AALDH1A1 | |
| SCHEMBL12472636 | 0.69 | NPC1 (0.51) | MAOBALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105017037-B | 6 substituted aryl amino methyl tetrahydro naphthaline derivatives or its esters, and its production and use | 复旦大学 | 2018-01-19 | — | — | CN | disclosed |