Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL157616 | 0.80 | MAPT (0.37) | TP53MAPTCTSAALDH1A1CYP3A4 | |
| SCHEMBL241692 | 0.76 | IDO1 (0.47) | IDO1TDO2ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL31476387 | 0.76 | IDO1 (0.47) | IDO1TDO2ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL8077711 | 0.74 | ALOX5 (0.46) | TP53MAPTTOP2ATOP2BALDH1A1 | |
| SCHEMBL1733962 | 0.73 | HSD17B2 (0.36) | TP53MAPTTOP2ATOP2BALDH1A1 | |
| SCHEMBL8806183 | 0.73 | ALDH1A1 (0.47) | MAPTIDO1TDO2CTSAALDH1A1 | |
| SCHEMBL20929546 | 0.72 | SLC6A3 (0.36) | MAPTIDO1TDO2CTSAALDH1A1 | |
| SCHEMBL4678 | 0.71 | IDO1 (0.52) | IDO1TDO2ALDH1A1SLC18A3SIGMAR1 | |
| SCHEMBL15759881 | 0.70 | — | — | |
| SCHEMBL5155773 | 0.70 | ALDH1A1 (0.42) | IDO1TDO2ALDH1A1MAPK1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |