Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL4276074 | 0.87 | S1PR1 (0.43) | S1PR1KDM4EGAAMEN1KMT2A | |
| SCHEMBL4276297 | 0.79 | S1PR1 (0.46) | S1PR1KDM4EMEN1KMT2ASLC6A2 | |
| SCHEMBL4710083 | 0.79 | TSHR (0.41) | SIGMAR1KDM4EGAAMEN1MAPT | |
| SCHEMBL4276394 | 0.78 | S1PR1 (0.46) | S1PR1ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL4273069 | 0.78 | S1PR1 (0.42) | S1PR1KDM4EGAAMEN1KMT2A | |
| SCHEMBL4272591 | 0.75 | S1PR1 (0.39) | SIGMAR1S1PR1KDM4EGAAMEN1 | |
| SCHEMBL4276384 | 0.75 | S1PR1 (0.39) | S1PR1KDM4EGAAKMT2ACYP3A4 | |
| SCHEMBL4269559 | 0.74 | CYP3A4 (0.41) | KDM4EMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL13657707 | 0.74 | KDM4E (0.42) | S1PR1KDM4EGAACYP3A4CYP2D6 | |
| SCHEMBL4268261 | 0.73 | UBE2M (0.43) | S1PR1KDM4EGAAMEN1KMT2A |
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 6 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 | claimed |
| EP-1730099-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-12-13 | — | — | EP | claimed |
| WO-2005092011-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | claimed |
| 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 |