Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7912850 | 0.87 | HTT (0.40) | HTTALDH1A1TSHR | |
| SCHEMBL7913005 | 0.74 | HTT (0.45) | HTTALDH1A1GLATSHRMEN1 | |
| SCHEMBL7912845 | 0.74 | HTT (0.45) | HTTALDH1A1GLATSHRMEN1 | |
| SCHEMBL9716647 | 0.70 | HTT (0.74) | HTTALDH1A1GLATSHRADRA2C | |
| SCHEMBL7913056 | 0.70 | MLYCD (0.34) | HTTALDH1A1TSHRMEN1CYP3A4 | |
| SCHEMBL157266 | 0.67 | HTT (0.63) | HTTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL547256 | 0.66 | ALDH1A1 (0.52) | HTTALDH1A1GLATSHRADRA2C | |
| SCHEMBL8165434 | 0.64 | ECE1 (0.44) | — | |
| SCHEMBL11315866 | 0.64 | ALDH1A1 (0.50) | HTTALDH1A1GLATSHRADRA2C | |
| SCHEMBL8047735 | 0.64 | MEN1 (0.44) | ALDH1A1TSHRMEN1CYP2C9CYP2C19 |
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-6211212-B1 | DRUGS WITH AMIDE AND ESTER GROUPS AS ENZYME INHIBITORS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-03 | — | — | US | claimed |
| EP-0970062-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-12 | — | — | EP | claimed |
| WO-1998040056-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-17 | — | — | WO | claimed |
| US-6211212-B1 | DRUGS WITH AMIDE AND ESTER GROUPS AS ENZYME INHIBITORS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-03 | — | — | US | disclosed |