Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GRM8 | O00222 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9189426 | 0.95 | HRH1 (0.49) | CYP2A6HRH1HTR2ASLC6A2SLC6A4 | |
| SCHEMBL30264571 | 0.84 | SMN1; SMN2 (0.44) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL27074456 | 0.84 | SMN1; SMN2 (0.44) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL14786230 | 0.84 | L3MBTL1 (0.46) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL27074454 | 0.84 | SMN1; SMN2 (0.44) | SLC6A2SLC6A4SLC6A3CFTRGOPC | |
| SCHEMBL24919476 | 0.82 | SMN1; SMN2 (0.50) | CYP2A6HRH1HTR2ASLC6A2SLC6A4 | |
| SCHEMBL28924921 | 0.82 | SMN1; SMN2 (0.50) | CYP2A6HRH1HTR2ASLC6A2SLC6A4 | |
| SCHEMBL30065165 | 0.82 | SMN1; SMN2 (0.50) | CYP2A6HRH1HTR2ASLC6A2SLC6A4 | |
| SCHEMBL28924924 | 0.82 | SMN1; SMN2 (0.50) | CYP2A6HRH1HTR2ASLC6A2SLC6A4 | |
| SCHEMBL3525890 | 0.81 | CFTR (0.50) | CYP2A6SLC6A2SLC6A4SLC6A3CFTR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |