Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 9/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL8224861 | 0.86 | ADAM17 (0.44) | ADAM17ALDH1A1ADAM10MMP12MMP13 | |
| SCHEMBL8222013 | 0.85 | ADAM17 (0.44) | ADAM17ALDH1A1ADAM10MMP12MMP13 | |
| SCHEMBL8275877 | 0.84 | ADAM17 (0.49) | ADAM17ALDH1A1KMT2ANPC1LMNA | |
| SCHEMBL8274406 | 0.82 | ADAM17 (0.49) | ADAM17ADAM10MMP12MMP13KMT2A | |
| SCHEMBL8221362 | 0.81 | ADAM17 (0.66) | ADAM17ALDH1A1ADAM10MMP12MMP13 | |
| SCHEMBL8222801 | 0.80 | CHRM4 (0.49) | ADAM17ADAM10MMP12MMP13CHRM4 | |
| SCHEMBL8273310 | 0.79 | GAA (0.44) | ADAM17ALDH1A1KMT2ANPC1GAA | |
| SCHEMBL8274451 | 0.79 | ADAM17 (0.45) | ADAM17ALDH1A1ADAM10MMP12MMP13 | |
| SCHEMBL8273592 | 0.78 | HTT (0.46) | ADAM17ALDH1A1KMT2ANPC1GAA | |
| SCHEMBL8273348 | 0.78 | ADAM17 (0.53) | ADAM17CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |