Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL8273311 | 0.91 | ADAM17 (0.41) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8275455 | 0.90 | ALDH1A1 (0.36) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8273591 | 0.89 | ADAM17 (0.43) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8273310 | 0.89 | GAA (0.44) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8273592 | 0.88 | HTT (0.46) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8223463 | 0.88 | ADAM17 (0.49) | ADAM17RPS6KB1DPP4SCN5ASCN9A | |
| SCHEMBL8273579 | 0.86 | CTSS (0.41) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8273588 | 0.86 | ADAM17 (0.40) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8273443 | 0.86 | DPP4 (0.41) | ADAM17ALDH1A1HTTGAAKDM4E | |
| SCHEMBL8276118 | 0.85 | ADAM17 (0.43) | ADAM17ALDH1A1HTTGAAL3MBTL1 |
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 |