Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.42 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2323123 | 0.83 | KCNA5 (0.47) | TSHRKCNA5SCN5AKCNH2CYP1A2 | |
| SCHEMBL12259473 | 0.82 | TSHR (0.42) | TSHRKCNA5KCNJ5KCNJ3SCN5A | |
| SCHEMBL24015882 | 0.80 | ALDH1A1 (0.44) | TSHRCYP1A2ALDH1A1SLC6A3CYP3A4 | |
| SCHEMBL24015880 | 0.80 | ALDH1A1 (0.44) | TSHRCYP1A2ALDH1A1SLC6A3CYP3A4 | |
| SCHEMBL19322907 | 0.80 | ALDH1A1 (0.44) | TSHRCYP1A2ALDH1A1SLC6A3CYP3A4 | |
| SCHEMBL9322413 | 0.79 | KDM4E (0.51) | TSHRKCNA5KCNH2CYP1A2ALDH1A1 | |
| SCHEMBL6669269 | 0.77 | KCNA5 (0.43) | TSHRKCNA5KCNJ5KCNJ3SCN5A | |
| SCHEMBL24016451 | 0.77 | CYP1A2 (0.39) | TSHRKCNA5KCNJ5KCNJ3SCN5A | |
| SCHEMBL27228935 | 0.77 | ALDH1A1 (0.45) | CYP1A2ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19323950 | 0.77 | ALDH1A1 (0.49) | TSHRKCNA5KCNJ5KCNJ3SCN5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| EP-1472260-A2 | THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003059878-A2 | THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-07-24 | — | — | WO | disclosed |