Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 5/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | PDE6D | O43924 | 1/20 | 0.36 |
| ▸ | HRAS | P01112 | 1/20 | 0.36 |
| ▸ | KRAS | P01116 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8273308 | 0.90 | ADAM17 (0.47) | ADAM17KDM4EMEN1KMT2A | |
| SCHEMBL8217095 | 0.89 | CHRM4 (0.47) | ADAM17NPY2RSCN5ASCN9A | |
| SCHEMBL8223154 | 0.83 | CHRM4 (0.46) | ADAM17KDM4EALDH1A1 | |
| SCHEMBL8273761 | 0.81 | ADAM17 (0.53) | ADAM17NPY2RKDM4EALDH1A1 | |
| SCHEMBL8274900 | 0.81 | ADAM17 (0.53) | ADAM17NPY2RKDM4EALDH1A1 | |
| SCHEMBL8221434 | 0.81 | ADAM17 (0.53) | ADAM17NPY2RKDM4EALDH1A1 | |
| SCHEMBL8274407 | 0.78 | ADAM17 (0.43) | ADAM17SCN5ASCN9AHTTALDH1A1 | |
| SCHEMBL8276118 | 0.78 | ADAM17 (0.43) | ADAM17SCN5ASCN9AHTTALDH1A1 | |
| SCHEMBL8273591 | 0.78 | ADAM17 (0.43) | ADAM17SCN5ASCN9APDE6DHRAS | |
| SCHEMBL8273310 | 0.78 | GAA (0.44) | ADAM17SCN5ASCN9APDE6DHRAS |
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 |
|---|---|---|---|---|---|---|---|
| US-7652020-B2 | novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction | SCHERING CORPORATION (US) | 2010-01-26 | — | — | US | disclosed |
| WO-2005121130-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION (US) | 2005-12-22 | — | — | WO | disclosed |