Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623745 | 1.00 | BLM (0.47) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL586074 | 0.87 | BLM (0.65) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL586073 | 0.87 | BLM (0.65) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL12614913 | 0.81 | BLM (0.45) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL16892971 | 0.81 | ENPP2 (0.52) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL407788 | 0.80 | SLC6A2 (0.57) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL407787 | 0.80 | SLC6A2 (0.57) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL5268840 | 0.80 | SLC6A2 (0.57) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL10666058 | 0.80 | TAAR1 (0.57) | BLMCYP1A2CYP3A4ALOX15KDM4E | |
| SCHEMBL17151945 | 0.80 | MMP8 (0.45) | BLMCYP1A2CYP3A4ALOX15KDM4E |
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 |