Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 4/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7377904 | 0.90 | MDM2 (0.35) | MDM2ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL7379415 | 0.87 | MAPT (0.32) | MDM2ALDH1A1MEN1KMT2ADDR1 | |
| SCHEMBL7379279 | 0.75 | CNR1 (0.35) | MDM2ALDH1A1DDR1EP300CREBBP | |
| SCHEMBL6925575 | 0.75 | EGFR (0.45) | MDM2ALDH1A1KDM4EEP300CREBBP | |
| SCHEMBL6925078 | 0.72 | ALDH1A1 (0.61) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 | |
| SCHEMBL6920228 | 0.71 | ALDH1A1 (0.49) | MDM2ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL6920258 | 0.71 | MEN1 (0.46) | MDM2ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL6925573 | 0.65 | KDM4E (0.43) | MDM2ALDH1A1KDM4EMEN1GAA | |
| SCHEMBL6925564 | 0.65 | EGFR (0.45) | MDM2ALDH1A1KDM4EDDR1EP300 | |
| SCHEMBL7379171 | 0.64 | DRD2 (0.37) | ALDH1A1LMNA |
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-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | WO | disclosed |