Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | PPARG | P37231 | 5/20 | 0.43 |
| ▸ | BCL2 | P10415 | 3/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28009772 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL4703640 | 0.85 | PPARA (0.46) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL4703637 | 0.85 | PPARA (0.46) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL1068117 | 0.81 | MEN1 (0.51) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL28009770 | 0.78 | PPARA (0.42) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL28085110 | 0.78 | MMP13 (0.52) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL28085112 | 0.78 | MMP13 (0.52) | ALDH1A1TSHRPPARAPPARGBCL2 | |
| SCHEMBL30829401 | 0.76 | ACE (0.53) | PPARAPPARGACEPPARD | |
| SCHEMBL649126 | 0.76 | ACE (0.53) | PPARAPPARGACEPPARD | |
| SCHEMBL648928 | 0.76 | ACE (0.53) | PPARAPPARGACEPPARD |
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 |
|---|---|---|---|---|---|---|---|
| CN-104557861-A | Hcv protease inhibitors and uses thereof | AVILA THERAPEUTICS INC | 2015-04-29 | — | — | CN | disclosed |