Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017090 | 0.94 | ALDH1A1 (0.40) | MAOBALDH1A1HPGDALOX12MAPT | |
| SCHEMBL5025721 | 0.80 | MAOB (0.37) | MAOBALDH1A1HPGDALOX12MAPT | |
| SCHEMBL5017759 | 0.80 | MAOB (0.37) | MAOBALDH1A1HPGDALOX12MAPT | |
| SCHEMBL5025797 | 0.74 | ALDH1A1 (0.36) | ALDH1A1KDM4EGAATSHRCA12 | |
| SCHEMBL5024195 | 0.70 | MAOB (0.47) | MAOBALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL4297641 | 0.70 | CHEK1 (0.47) | MAOBALDH1A1HPGDALOX12MAPT | |
| SCHEMBL5017745 | 0.68 | MAOB (0.36) | MAOBALDH1A1MAPTKDM4ENQO2 | |
| SCHEMBL5017586 | 0.67 | MAOB (0.41) | MAOBNQO2TSHRCA12CA1 | |
| SCHEMBL21619395 | 0.66 | CTSL (0.45) | MAOBALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL5024304 | 0.66 | DPP4 (0.44) | ALDH1A1KDM4ECYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |