Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.51 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7337581 | 0.90 | ABCB1 (0.50) | ABCB1TACR3CA1CA2CA4 | |
| SCHEMBL16350186 | 0.84 | MC4R (0.43) | ABCB1MC4RMC3RPOLB | |
| SCHEMBL18426852 | 0.84 | TACR3 (0.43) | ABCB1TACR3ALDH1A1GRIN2B | |
| SCHEMBL25632508 | 0.84 | TACR3 (0.43) | ABCB1TACR3ALDH1A1GRIN2B | |
| SCHEMBL11048764 | 0.80 | AGTR2 (0.49) | ABCB1TACR3AGTR2 | |
| SCHEMBL16316038 | 0.78 | BCHE (0.46) | ABCB1AGTR2F2ALDH1A1MMP2 | |
| SCHEMBL16300579 | 0.77 | CTSL (0.52) | ABCB1ALDH1A1MMP2 | |
| SCHEMBL13979529 | 0.76 | AGTR2 (0.48) | ABCB1AGTR2MC4RMC3RALDH1A1 | |
| SCHEMBL16300666 | 0.75 | POLB (0.53) | ABCB1POLBGRIN2BMMP2 | |
| SCHEMBL11053818 | 0.74 | AGTR2 (0.54) | AGTR2 |
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-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |