Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.67 |
| ▸ | GSK3B | P49841 | 2/20 | 0.67 |
| ▸ | NAT1 | P18440 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | 0.92 | GSK3A (0.56) | GSK3AGSK3BNAT1MAOAMAOB | |
| Rhodanine SCHEMBL2229918 | 0.82 | GSK3A (1.00) | GSK3AGSK3BMAOAMAOBHPGD | |
| Rhodanine SCHEMBL55625 | 0.82 | — | — | |
| Rhodanine SCHEMBL94126 | 0.82 | — | — | |
| Rhodanine SCHEMBL3758858 | 0.81 | GSK3A (0.47) | GSK3AGSK3BNAT1ALOX15PTGS2 | |
| Rhodanine SCHEMBL8017015 | 0.80 | — | — | |
| Rhodanine SCHEMBL5919491 | 0.80 | — | — | |
| Rhodanine SCHEMBL2403229 | 0.80 | — | — | |
| Rhodanine SCHEMBL38654015 | 0.80 | — | — | |
| Rhodanine SCHEMBL11436580 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010141596-A2 | CHEMICAL PROTEOMIC ASSAY FOR OPTIMIZING DRUG BINDING TO TARGET PROTEINS | MARQUETTE UNIVERSITY (US) | 2010-12-09 | — | — | WO | disclosed |
| US-20100304998-A1 | Chemical Proteomic Assay for Optimizing Drug Binding to Target Proteins | MARQUETTE UNIVERSITY (US) | 2010-12-02 | — | — | US | disclosed |