Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | GGT1 | P19440 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| Catechol SCHEMBL3758856 | 0.83 | GSK3A (0.56) | GSK3AGSK3BHPGDPTGS2TDP1 | |
| Catechol SCHEMBL2781528 | 0.81 | GSK3A (0.67) | GSK3AGSK3BHPGDPTGS2TDP1 | |
| SCHEMBL361220 | 0.76 | PTGS2 (0.59) | HPGDPTGS2TDP1ALDH1A1KDM4E | |
| SCHEMBL27820960 | 0.74 | PTGS2 (0.57) | HPGDPTGS2TDP1ALDH1A1KDM4E | |
| SCHEMBL6606361 | 0.74 | PTGS2 (0.57) | HPGDPTGS2TDP1ALDH1A1KDM4E | |
| Rhodanine SCHEMBL3083933 | 0.74 | GSK3A (0.78) | GSK3AGSK3BHPGDTDP1ALDH1A1 | |
| SCHEMBL28331402 | 0.74 | PTGS2 (0.57) | HPGDPTGS2TDP1ALDH1A1KDM4E | |
| SCHEMBL10423795 | 0.73 | PTGS2 (0.55) | HPGDPTGS2TDP1ALDH1A1KDM4E | |
| Methyl Benzoate SCHEMBL6426649 | 0.71 | ALDH1A1 (0.56) | GSK3AGSK3BHPGDTDP1ALDH1A1 | |
| Rhodanine SCHEMBL9131134 | 0.70 | GSK3A (0.58) | GSK3AGSK3BHPGDTDP1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100304998-A1 | Chemical Proteomic Assay for Optimizing Drug Binding to Target Proteins | MARQUETTE UNIVERSITY (US) | 2010-12-02 | — | — | US | disclosed |