Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL496890 | 0.87 | SRC (0.58) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL9244633 | 0.85 | SRC (0.56) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL8360847 | 0.85 | SRC (0.56) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL1439868 | 0.76 | SLC6A3 (0.54) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL7724506 | 0.76 | LMNA (0.47) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL27785250 | 0.76 | SRC (0.43) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL8364114 | 0.72 | SRC (0.47) | SRCALDH1A1CYP2C19LMNAKDM4E | |
| SCHEMBL27891280 | 0.72 | MAOA (0.44) | SRCALDH1A1CYP2C19MAPTTDP1 | |
| SCHEMBL29001104 | 0.72 | UGT2B7 (0.47) | SRCALDH1A1CYP2C19KMT2ACYP2D6 | |
| SCHEMBL8207275 | 0.72 | KDM4E (0.48) | ALDH1A1CYP2C19LMNAKDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-100430052-C | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2008-11-05 | — | — | CN | disclosed |
| CN-1638757-A | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | disclosed |