Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 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 | |
|---|---|---|---|---|
| SCHEMBL5015727 | 0.93 | DPP4 (0.50) | DPP4KDM4EPDCD1LG2CD274PDE10A | |
| SCHEMBL5015642 | 0.82 | TACR3 (0.41) | DPP4KDM4EPDCD1LG2CD274PDE10A | |
| SCHEMBL5017745 | 0.81 | MAOB (0.36) | DPP4KDM4EPDCD1LG2CD274CYP1A2 | |
| SCHEMBL5025721 | 0.81 | MAOB (0.37) | KDM4ECYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL5017759 | 0.81 | MAOB (0.37) | KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL5024195 | 0.79 | MAOB (0.47) | KDM4EPDCD1LG2CD274MEN1ALDH1A1 | |
| SCHEMBL5017586 | 0.76 | MAOB (0.41) | PDCD1LG2CD274CYP1A2MEN1KMT2A | |
| SCHEMBL5025797 | 0.75 | ALDH1A1 (0.36) | KDM4EALDH1A1 | |
| SCHEMBL5024152 | 0.74 | POLB (0.34) | PDCD1LG2CD274CYP1A2MAPK1MEN1 | |
| SCHEMBL5015661 | 0.74 | LCK (0.39) | DPP4KDM4ECYP2D6PDE10AMEN1 |
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 |