Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL908982 | 0.87 | HSD11B1 (0.44) | HSD11B1MEN1KMT2AEPHX2NPSR1 | |
| SCHEMBL27663775 | 0.85 | OPRM1 (0.50) | MEN1KMT2ANPSR1SLC22A1SLC6A4 | |
| SCHEMBL16004573 | 0.84 | NR1H2 (0.53) | NR1H2NR1H3OPRD1OPRK1 | |
| SCHEMBL18642718 | 0.84 | NR1H2 (0.53) | NR1H2NR1H3OPRD1OPRK1 | |
| SCHEMBL28815574 | 0.84 | NR1H2 (0.53) | NR1H2NR1H3OPRD1OPRK1 | |
| SCHEMBL30338318 | 0.83 | MEN1 (0.47) | HSD11B1MEN1KMT2ANPSR1AKR1C1 | |
| SCHEMBL3398748 | 0.82 | MEN1 (0.46) | MEN1KMT2ANPSR1 | |
| SCHEMBL29418095 | 0.75 | EPHX2 (0.43) | HSD11B1MEN1KMT2AEPHX2HCRTR1 | |
| SCHEMBL22289862 | 0.75 | EPHX2 (0.43) | HSD11B1MEN1KMT2AEPHX2HCRTR1 | |
| SCHEMBL30638244 | 0.74 | CYP2D6 (0.45) | — |
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-1515724-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-1515724-A1 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2003105855-A1 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-12-24 | — | — | WO | disclosed |