Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4626727 | 0.79 | SIGMAR1 (0.38) | NR1H2NR1H3AOC3CYP3A4CYP2D6 | |
| SCHEMBL4624929 | 0.78 | TSHR (0.48) | TSHRRECQLNR1H2NR1H3OPRM1 | |
| SCHEMBL4626128 | 0.75 | CYP2C19 (0.41) | TSHRNR1H2NR1H3CYP3A4CYP2D6 | |
| SCHEMBL4268261 | 0.72 | UBE2M (0.43) | TSHRKDM4EGAAMEN1KMT2A | |
| SCHEMBL4268265 | 0.72 | UBE2M (0.43) | TSHRKDM4EGAAMEN1KMT2A | |
| SCHEMBL4270761 | 0.71 | UBE2M (0.42) | TSHRKDM4EGAAMEN1KMT2A | |
| SCHEMBL4270769 | 0.71 | UBE2M (0.42) | TSHRKDM4EGAAMEN1KMT2A | |
| SCHEMBL4276074 | 0.70 | S1PR1 (0.43) | NR1H2NR1H3CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL13657707 | 0.70 | KDM4E (0.42) | TSHRRECQLCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL13657696 | 0.70 | UBE2M (0.41) | TSHRKDM4EGAAMEN1KMT2A |
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 |