Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATIC | P31939 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061534 | 0.85 | TP53 (0.43) | HMGB1CXCL12HSD17B10HPGDCYP2C9 | |
| SCHEMBL5767408 | 0.80 | KEAP1 (0.42) | HMGB1CXCL12HSD17B10HPGDCYP2C9 | |
| SCHEMBL27903036 | 0.80 | CA12 (0.44) | HMGB1CXCL12HSD17B10HPGDCYP2C9 | |
| SCHEMBL27523733 | 0.78 | HSD17B10 (0.39) | HMGB1CXCL12HSD17B10HPGDCYP2C9 | |
| SCHEMBL2724263 | 0.77 | HTT (0.45) | HSD17B10HPGDCYP2C9THRBTSHR | |
| SCHEMBL1610495 | 0.77 | CYP1A2 (0.49) | HSD17B10HPGDCYP2C9THRBTSHR | |
| SCHEMBL5766222 | 0.77 | ALDH1A1 (0.47) | HSD17B10HPGDCYP2C9THRBTSHR | |
| SCHEMBL30592903 | 0.77 | CYP1A2 (0.49) | HSD17B10HPGDCYP2C9THRBTSHR | |
| SCHEMBL1617941 | 0.77 | HSD17B10 (0.41) | HMGB1CXCL12HSD17B10HPGDCYP2C9 | |
| SCHEMBL30592902 | 0.77 | ALDH1A1 (0.46) | HSD17B10HPGDTHRBALOX12KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086064-A2 | DIRECTED COMBINATORIAL COMPOUND LIBRARY AND HIGH THROUGHPUT ASSAYS FOR SCREENING SAME | Glycodesign Inc. (CA) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064378-A2 | DIRECTED COMBINATORIAL COMPOUND LIBRARY AND HIGH THROUGHPUT ASSAYS FOR SCREENING SAME | GLYCODESIGN INC. (CA) | 1999-12-16 | — | — | WO | disclosed |