Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10745204 | 0.81 | ERN1 (0.37) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL11269447 | 0.78 | MAPT (0.44) | ALDH1A1CYP1A2MAPTTDP1GPR35 | |
| SCHEMBL2681533 | 0.77 | VCAM1 (0.44) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL1187281 | 0.77 | PSMB8 (0.42) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL12963014 | 0.77 | ALDH1A1 (0.37) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL2680731 | 0.75 | CYP3A4 (0.39) | ERN1ALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL947371 | 0.74 | ERN1 (0.36) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL10742175 | 0.73 | ALDH1A1 (0.40) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL11829469 | 0.73 | MAPT (0.35) | ERN1ALDH5A1ABATVCAM1ALDH1A1 | |
| SCHEMBL11817923 | 0.73 | CYP2A6 (0.41) | ERN1ALDH5A1ABATVCAM1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5942387-A | Combinatorial process for preparing substituted thiophene libraries | ELI LILLY AND COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |
| US-4659735-A | Benzofuranyl (thienyl) propenyl derivatives useful as rodenticides | HOFFMANN-LA ROCHE INC. (US) | 1987-04-21 | — | — | US | disclosed |
| US-4649154-A | AGRICULTURE | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1987-03-10 | — | — | US | disclosed |
| US-4451660-A | AGRICULTURE, HORTICULTURE | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1984-05-29 | — | — | US | disclosed |
| EP-0031173-B1 | NEW NITROTHIOPHENES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS FUNGICIDAL AND/OR BACTERICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1983-09-14 | — | — | EP | disclosed |
| EP-0031173-A1 | New nitrothiophenes, method of preparing the new compounds, as well as fungicidal and/or bactericidal compositions on the basis of the new compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1981-07-01 | — | — | EP | disclosed |