Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5025721 | 0.94 | MAOB (0.37) | ALDH1A1CNR2KDM4EGAARXFP1 | |
| SCHEMBL5017759 | 0.89 | MAOB (0.37) | ALDH1A1CNR2KDM4EGAACA12 | |
| SCHEMBL5017090 | 0.81 | ALDH1A1 (0.40) | ALDH1A1CNR2KDM4EGAAGHSR | |
| SCHEMBL5015642 | 0.78 | TACR3 (0.41) | KDM4ECA12CA1CA2CA9 | |
| SCHEMBL5024195 | 0.78 | MAOB (0.47) | ALDH1A1KDM4ELMNA | |
| SCHEMBL5017745 | 0.77 | MAOB (0.36) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL5017586 | 0.77 | MAOB (0.41) | CA12CA1CA2CA9TSHR | |
| SCHEMBL5024304 | 0.75 | DPP4 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL5015727 | 0.74 | DPP4 (0.50) | ALDH1A1KDM4E | |
| SCHEMBL5017397 | 0.74 | MAOB (0.41) | ALDH1A1CNR2KDM4EGAACA12 |
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 2 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 | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |