Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LGALS3 | P17931 | 3/20 | 0.60 |
| ▸ | PYGB | P11216 | 7/20 | 0.50 |
| ▸ | LGALS8 | O00214 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL20856393 | 0.92 | LGALS3 (0.66) | LGALS3PYGBLGALS8GAA | |
| SCHEMBL20856392 | 0.92 | LGALS3 (0.66) | LGALS3PYGBLGALS8GAA | |
| SCHEMBL9436546 | 0.85 | — | — | |
| SCHEMBL9436545 | 0.85 | — | — | |
| SCHEMBL12832615 | 0.77 | LGALS3 (0.50) | LGALS3PYGBGAA | |
| SCHEMBL21335321 | 0.76 | LGALS3 (0.49) | LGALS3PYGBGAA | |
| SCHEMBL27737603 | 0.76 | LGALS3 (0.46) | LGALS3PYGBGAAALDH1A1THRB | |
| SCHEMBL12082047 | 0.75 | LGALS3 (0.44) | LGALS3PYGBALDH1A1 | |
| SCHEMBL4096725 | 0.75 | LGALS3 (0.44) | LGALS3PYGBALDH1A1 | |
| SCHEMBL7154268 | 0.75 | LGALS3 (0.44) | LGALS3PYGBALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750735-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | AMERICAN CYANAMID COMPANY (US) | 1998-05-12 | — | — | US | disclosed |
| US-5744465-A | Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5623081-A | USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION | LIN YANG-I (US) | 1997-04-22 | — | — | US | disclosed |
| US-5602118-A | A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA | AMERICAN CYANAMID COMPANY (US) | 1997-02-11 | — | — | US | disclosed |
| EP-0617036-A2 | Novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1994-09-28 | — | — | EP | disclosed |