Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2569039 | 0.80 | BCAT1 (0.54) | BCAT1DYRK1ACHUKCYP11B1CYP11B2 | |
| SCHEMBL8131456 | 0.77 | BCAT1 (0.36) | BCAT1DYRK1ACCNE2CCNE1CDK2 | |
| SCHEMBL5673742 | 0.76 | CYP1A2 (0.33) | BCAT1CYP11B1CYP11B2TDP1CCNE2 | |
| SCHEMBL5672607 | 0.73 | HSD11B1 (0.46) | BCAT1CCNE2CCNE1CDK2 | |
| SCHEMBL16720156 | 0.72 | BCAT1 (0.33) | BCAT1CCNE2CCNE1CDK2 | |
| SCHEMBL2053580 | 0.72 | HSD11B1 (0.35) | BCAT1DYRK1ACCNE2CCNE1CDK2 | |
| SCHEMBL2014556 | 0.72 | BCAT1 (0.33) | BCAT1CYP11B1CYP11B2TDP1CCNE2 | |
| SCHEMBL191700 | 0.72 | — | — | |
| SCHEMBL11937467 | 0.71 | BCAT1 (0.49) | BCAT1DYRK1ALRRK2CHUKCYP11B1 | |
| SCHEMBL2650917 | 0.71 | BCAT1 (0.47) | BCAT1DYRK1AKDM4ELRRK2ALDH1A1 |
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-1492487-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | claimed |
| EP-1492487-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-01-05 | — | — | EP | claimed |
| WO-2003079973-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-10-02 | — | — | WO | claimed |
| EP-1492487-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1492487-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003079973-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-10-02 | — | — | WO | disclosed |