Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | GYS1 | P13807 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13286256 | 0.91 | PDK2 (0.42) | PDK2HDAC4ROCK2ROCK1HPGD | |
| SCHEMBL13286175 | 0.89 | HSP90AA1 (0.48) | PDK2HSP90AA1HSP90AB1CYP1A2BLM | |
| SCHEMBL791690 | 0.88 | PDK2 (0.40) | PDK2HDAC4LMNATSHR | |
| SCHEMBL13285989 | 0.85 | KMT2A (0.51) | HSD17B2ROCK2ROCK1HPGDTSHR | |
| SCHEMBL13286249 | 0.81 | CHEK2 (0.39) | — | |
| SCHEMBL792151 | 0.80 | ALDH1A1 (0.44) | PDK2CYP1A2HPGDTSHR | |
| SCHEMBL792216 | 0.79 | PDK2 (0.42) | PDK2TSHRGYS1 | |
| SCHEMBL13286253 | 0.79 | CYP3A4 (0.38) | ROCK2CYP1A2HPGDTSHR | |
| SCHEMBL13286176 | 0.79 | PLK1 (0.39) | HSD17B2ROCK2ROCK1HPGDTSHR | |
| SCHEMBL13285969 | 0.78 | ROCK2 (0.36) | ROCK2ROCK1CYP1A2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2206715-A1 | Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor | Japan Tobacco, Inc. (JP) | 2010-07-14 | — | — | EP | disclosed |