Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.43 |
| ▸ | CETP | P11597 | 4/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4276394 | 0.80 | S1PR1 (0.46) | TSHRRECQLS1PR1NR1H2NR1H3 | |
| SCHEMBL4710083 | 0.78 | TSHR (0.41) | TSHRRECQLNR1H2NR1H3OPRM1 | |
| SCHEMBL13657711 | 0.77 | S1PR1 (0.41) | TSHRS1PR1PDK1 | |
| SCHEMBL4626128 | 0.76 | CYP2C19 (0.41) | TSHRS1PR1CETPNR1H2NR1H3 | |
| SCHEMBL13404667 | 0.75 | CETP (0.64) | CETP | |
| SCHEMBL13657713 | 0.71 | POLB (0.38) | S1PR1PDK1 | |
| SCHEMBL4625141 | 0.70 | UBE2M (0.43) | TSHROPRM1OPRK1 | |
| SCHEMBL4276297 | 0.68 | S1PR1 (0.46) | TSHRRECQLS1PR1 | |
| SCHEMBL16398249 | 0.68 | ALDH1A1 (0.51) | TSHRCETPOPRM1OPRD1OPRK1 | |
| SCHEMBL10780760 | 0.67 | S1PR1 (0.47) | TSHRRECQLS1PR1 |
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-1730099-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2008-03-12 | — | — | EP | disclosed |
| EP-1730099-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005092011-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | disclosed |