Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8647557 | 0.78 | CYP3A4 (0.46) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL6894444 | 0.77 | HPGD (0.38) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| SCHEMBL6894343 | 0.75 | CYP3A4 (0.44) | CYP3A4HPGDHSD17B10TSHRMAPK1 | |
| SCHEMBL28740597 | 0.74 | CYP3A4 (0.37) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL20241835 | 0.71 | AHR (0.37) | ALDH1A1AHRGLAGAAMAPT | |
| SCHEMBL1437003 | 0.70 | CYP3A4 (0.48) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL1315659 | 0.70 | CYP3A4 (0.48) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL5519537 | 0.69 | CYP3A4 (0.40) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL6445645 | 0.68 | TSHR (0.48) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Fluoride SCHEMBL6445648 | 0.68 | CYP3A4 (0.47) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 |
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 |