Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 3/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.34 |
| ▸ | NRP1 | O14786 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 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 | |
|---|---|---|---|---|
| SCHEMBL1052024 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRKMT2ABCL2MCL1 | |
| SCHEMBL1052027 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRKMT2ABCL2MCL1 | |
| SCHEMBL1645136 | 0.87 | KMT2A (0.42) | ALDH1A1KMT2ABCL2GSTP1GSTM2 | |
| SCHEMBL1645137 | 0.87 | KMT2A (0.42) | ALDH1A1KMT2ABCL2GSTP1GSTM2 | |
| SCHEMBL1644288 | 0.86 | KMT2A (0.44) | ALDH1A1KMT2ANPSR1MMP13 | |
| SCHEMBL1644292 | 0.86 | KMT2A (0.44) | ALDH1A1KMT2ANPSR1MMP13 | |
| SCHEMBL12770375 | 0.84 | BCL2 (0.39) | KMT2ABCL2MCL1CTSKMMP13 | |
| SCHEMBL13059502 | 0.79 | CTSK (0.46) | ALDH1A1TSHRPPARAPPARGCTSK | |
| SCHEMBL2235961 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TSHRKMT2ABCL2MCL1 | |
| SCHEMBL3058638 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TSHRKMT2ABCL2MCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2305695-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305697-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305698-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |