Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 7/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8910843 | 0.83 | ALDH1A1 (0.55) | METKCNH2ALDH1A1TDP1NPSR1 | |
| SCHEMBL7144926 | 0.82 | MET (0.43) | METCA1CA2EGFR | |
| SCHEMBL2449685 | 0.80 | MET (0.54) | METKCNH2MAPK10PSMB5 | |
| SCHEMBL2450265 | 0.80 | MET (0.68) | METKCNH2MAPK10PSMB5 | |
| SCHEMBL2447320 | 0.80 | MET (0.54) | METKCNH2ALDH1A1NPSR1MAPK10 | |
| SCHEMBL4309790 | 0.78 | MET (0.57) | METKCNH2KDM4EMAPK10PSMB5 | |
| SCHEMBL2447746 | 0.77 | MET (0.51) | METKCNH2MAPK10PSMB5 | |
| SCHEMBL2330707 | 0.76 | MET (0.67) | METKCNH2MAPK10 | |
| SCHEMBL2448087 | 0.76 | MET (0.58) | METKCNH2MAPK10PSMB5 | |
| SCHEMBL8344609 | 0.75 | MET (0.49) | METGRIN2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003084931-A1 | 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |