Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31223766 | 1.00 | NPSR1 (0.48) | NPSR1CES2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL1156528 | 0.80 | KMT2A (0.69) | NPSR1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL4436742 | 0.80 | HTR2A (0.51) | NPSR1ALDH1A1MAPTMAOBHTT | |
| SCHEMBL380840 | 0.80 | ALDH1A1 (0.54) | CES2TAS1R3TAS1R1ALDH1A1POLB | |
| SCHEMBL1994068 | 0.78 | CES2 (0.61) | NPSR1CES2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL30786693 | 0.78 | CES2 (0.61) | NPSR1CES2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL1423257 | 0.78 | ALDH1A1 (0.55) | NPSR1CES2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL7058689 | 0.78 | THRB (0.49) | NPSR1ALDH1A1KMT2AMEN1HDAC1 | |
| SCHEMBL13222715 | 0.77 | NPSR1 (0.59) | NPSR1CES2TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL16042360 | 0.77 | KMO (0.55) | CES2ALDH1A1KMT2AMEN1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023004897-A1 | THIADIAZOLE AMIDE COMPOUND AND USE THEREOF | 浙江大学 | 2023-02-02 | — | — | WO | disclosed |
| CN-113444081-B | Thiadiazole carboxamide compounds and application thereof | 浙江大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-113444081-A | Thiadiazole amide compound and application thereof | 浙江大学 | 2021-09-28 | — | — | CN | disclosed |