Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30167294 | 1.00 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 | |
| SCHEMBL28978063 | 0.83 | ESR2 (0.49) | SLC6A4CYP3A4ESR2ESR1MEN1 | |
| SCHEMBL9852879 | 0.83 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 | |
| SCHEMBL56063 | 0.80 | ESR2 (0.60) | SLC6A2SLC6A4SLC6A3CYP3A4ESR2 | |
| SCHEMBL28938718 | 0.78 | PDPK1 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2MEN1 | |
| SCHEMBL31438165 | 0.77 | CCR1 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 | |
| SCHEMBL11549311 | 0.77 | UGT2B7 (0.49) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 | |
| SCHEMBL27637858 | 0.76 | SGMS2 (0.45) | CYP3A4CYP2D6ESR2ESR1MEN1 | |
| SCHEMBL17455232 | 0.76 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 | |
| SCHEMBL17455234 | 0.76 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP3A4KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116903494-A | Preparation method of alpha-alkyl nitrile derivative and alpha-alkenyl nitrile derivative | 浙江工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115724891-A | Manganese complex Mn-L and preparation method and application thereof | 浙江工业大学 | 2023-03-03 | — | — | CN | disclosed |
| EP-0393940-A1 | Substituted and unsubstituted naphthalenyl-3H-1,2,3,5-oxthiadiazole 2-oxides | AMERICAN HOME PRODUCTS CORPORATION (US) | 1990-10-24 | — | — | EP | disclosed |
| US-4895861-A | Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1990-01-23 | — | — | US | disclosed |