Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24951715 | 1.00 | ALDH1A1 (0.59) | ALDH1A1MAOBCES2POLBMAPT | |
| Ethyl Fumarate SCHEMBL8787704 | 0.84 | HCAR2 (0.48) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL10399108 | 0.83 | CES2 (0.47) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL10399189 | 0.83 | CES2 (0.47) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL10399109 | 0.83 | CES2 (0.47) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL29098730 | 0.83 | CYP1A1 (0.58) | MAOBMAPTNPSR1 | |
| SCHEMBL3269421 | 0.82 | NPSR1 (0.52) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL7361886 | 0.82 | ALDH1A1 (0.60) | ALDH1A1MAOBCES2POLBMAPT | |
| SCHEMBL29098722 | 0.81 | MAPT (0.54) | ALDH1A1MAPTLMNA | |
| SCHEMBL30786693 | 0.81 | CES2 (0.61) | ALDH1A1CES2POLBMAPTNPSR1 |
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-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 |