Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 2/20 | 0.40 |
| ▸ | FABP3 | P05413 | 2/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31703382 | 1.00 | AKR1C3 (0.41) | AKR1C3AKR1C1FABP7FABP3FABP5 | |
| SCHEMBL31703439 | 0.84 | SLC6A4 (0.40) | — | |
| SCHEMBL31191672 | 0.82 | HDAC4 (0.41) | HDAC4SMN1; SMN2NPSR1ALDH1A1HPGD | |
| SCHEMBL28951784 | 0.81 | TSHR (0.45) | AKR1C3AKR1C1HDAC4SMN1; SMN2NPSR1 | |
| SCHEMBL28951562 | 0.81 | TSHR (0.45) | AKR1C3AKR1C1HDAC4SMN1; SMN2NPSR1 | |
| SCHEMBL25075419 | 0.81 | TSHR (0.45) | AKR1C3AKR1C1HDAC4SMN1; SMN2NPSR1 | |
| Formic Acid SCHEMBL31064289 | 0.80 | HDAC4 (0.38) | HDAC4SMN1; SMN2NPSR1ALDH1A1HPGD | |
| SCHEMBL28381110 | 0.79 | NPC1 (0.42) | SMN1; SMN2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL28377286 | 0.79 | NPC1 (0.42) | SMN1; SMN2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL22492114 | 0.79 | EPHX1 (0.46) | AKR1C3AKR1C1HDAC4SMN1; SMN2HPGD |
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-111004225-A | Novel piperazine compound and preparation method and application thereof | 兰州大学 | 2020-04-14 | — | — | CN | disclosed |