Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.41 |
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.34 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA4 | P22748 | 4/20 | 0.34 |
| ▸ | CA6 | P23280 | 4/20 | 0.34 |
| ▸ | CA5A | P35218 | 4/20 | 0.34 |
| ▸ | CA7 | P43166 | 4/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.34 |
| ▸ | CA3 | P07451 | 3/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29859022 | 1.00 | HSD17B10 (0.46) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL2266623 | 0.88 | CA1 (0.42) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL5635695 | 0.84 | TSHR (0.50) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL5245480 | 0.81 | CA1 (0.55) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL6548470 | 0.81 | HSD17B10 (0.46) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL6559572 | 0.78 | CA1 (0.33) | CA1CA2TRPV4ALDH1A1CA9 | |
| SCHEMBL11862719 | 0.77 | PKLR (0.50) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL1045638 | 0.77 | POLB (0.50) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL30161536 | 0.77 | TRPV4 (0.47) | HSD17B10TSHRHPGDCA1CA2 | |
| SCHEMBL534192 | 0.77 | TRPV4 (0.47) | HSD17B10TSHRHPGDCA1CA2 |
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 |