Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.45 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.40 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.40 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9699535 | 0.87 | PPARA (0.43) | HMGB1CXCL12PPARAPTPN1LCK | |
| SCHEMBL9700693 | 0.83 | PRKCE (0.47) | HMGB1CXCL12PPARAPTPN1LCK | |
| SCHEMBL23764872 | 0.82 | SELL (0.39) | ALDH1A1KDM4EPOLBSELLSELP | |
| SCHEMBL9700687 | 0.80 | HMGB1 (0.52) | HMGB1CXCL12PPARAPTPN1LCK | |
| SCHEMBL9701888 | 0.79 | HMGB1 (0.44) | HMGB1CXCL12PPARAPTPN1LCK | |
| SCHEMBL22529565 | 0.77 | MCL1 (0.53) | HMGB1CXCL12PPARAPTPN1LCK | |
| SCHEMBL5676629 | 0.75 | PPARA (0.62) | HMGB1CXCL12PPARALCKALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL29240246 | 0.73 | PPARA (0.60) | HMGB1CXCL12PPARALCKALDH1A1 | |
| SCHEMBL28368563 | 0.73 | PPARA (0.69) | PPARAKAT8 | |
| SCHEMBL25414228 | 0.73 | ALDH1A1 (0.53) | KLKB1CA12CA1CA2CA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166060-A | Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid | CELGENE CORPORATION (US) | 1992-11-24 | — | — | US | claimed |
| EP-0390102-A2 | Process for the preparation of pyridine-2,3-dicarboxylic acids | CELGENE CORPORATION (US) | 1990-10-03 | — | — | EP | claimed |
| US-5166060-A | Prepared by the action of 2,3-dihydroxybenzoate-3,4-dioxygenase on 2,3-dihydroxybenzoic acid | CELGENE CORPORATION (US) | 1992-11-24 | — | — | US | disclosed |
| EP-0390102-A2 | Process for the preparation of pyridine-2,3-dicarboxylic acids | CELGENE CORPORATION (US) | 1990-10-03 | — | — | EP | disclosed |