Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | EIF4E | P06730 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8213705 | 0.89 | ADAM17 (0.45) | NAMPTADAM17ALDH1A1USP2CYP2D6 | |
| SCHEMBL8273312 | 0.88 | ADAM17 (0.41) | NAMPTADAM17USP2CYP2D6CYP3A4 | |
| SCHEMBL8273588 | 0.88 | ADAM17 (0.40) | HDAC2HDAC1ADAM17ALDH1A1EIF4E | |
| SCHEMBL8273443 | 0.88 | DPP4 (0.41) | ADAM17ALDH1A1GAAHTTL3MBTL1 | |
| SCHEMBL8273310 | 0.84 | GAA (0.44) | NAMPTADAM17ALDH1A1GAAHTT | |
| SCHEMBL8273591 | 0.84 | ADAM17 (0.43) | NAMPTHDAC2HDAC1ADAM17ALDH1A1 | |
| SCHEMBL8273592 | 0.83 | HTT (0.46) | NAMPTADAM17ALDH1A1GAAHTT | |
| SCHEMBL8273579 | 0.81 | CTSS (0.41) | NAMPTADAM17ALDH1A1GAAHTT | |
| SCHEMBL8273311 | 0.81 | ADAM17 (0.41) | HDAC2HDAC1ADAM17ALDH1A1HDAC3 | |
| SCHEMBL8273578 | 0.81 | ADAM17 (0.39) | HDAC2HDAC1ADAM17ALDH1A1HDAC3 |
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 |