Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29907223 | 0.89 | SLC40A1 (0.44) | SLC40A1NR3C1CCR1NFE2L2ALDH1A1 | |
| SCHEMBL154899 | 0.89 | SLC40A1 (0.44) | SLC40A1NR3C1CCR1NFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7566667 | 0.86 | CA1 (0.40) | SLC40A1MCOLN3NR3C1EDNRACCR1 | |
| SCHEMBL11581641 | 0.82 | ALDH1A1 (0.37) | SLC40A1KDM4EMCOLN3ALDH1A1GAA | |
| SCHEMBL251515 | 0.81 | KMT2A (0.37) | KDM4ENFE2L2ALDH1A1GAATSHR | |
| SCHEMBL16067 | 0.81 | HSD11B1 (0.47) | HSD11B1NFE2L2ALDH1A1GAATSHR | |
| SCHEMBL10949160 | 0.79 | ALDH1A1 (0.39) | HSD11B1KDM4EMCOLN3NFE2L2ALDH1A1 | |
| SCHEMBL1500713 | 0.77 | ALDH1A1 (0.40) | SLC40A1NFE2L2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL30950298 | 0.75 | ALDH1A1 (0.44) | HSD11B1KDM4EEDNRANFE2L2ALDH1A1 | |
| SCHEMBL4439 | 0.75 | ALDH1A1 (0.44) | HSD11B1KDM4EEDNRANFE2L2ALDH1A1 |
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 | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |