Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | PGR | P06401 | 5/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.30 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.30 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.30 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.30 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL509057 | 0.90 | PGR (0.41) | KCNH2PGRPARP15PARP10PARP2 | |
| SCHEMBL14599402 | 0.89 | KCNH2 (0.49) | KCNH2PGRALDH1A1LMNACYP3A4 | |
| SCHEMBL14620928 | 0.82 | KCNH2 (0.43) | KCNH2PGRALDH1A1LMNACYP3A4 | |
| Lersivirine SCHEMBL508446 | 0.78 | KCNH2 (0.49) | KCNH2PGRALDH1A1LMNACYP3A4 | |
| SCHEMBL5231006 | 0.78 | KCNH2 (0.41) | KCNH2PGRALDH1A1 | |
| SCHEMBL508505 | 0.78 | PGR (0.40) | KCNH2PGRPARP15PARP10PARP2 | |
| SCHEMBL2717137 | 0.77 | KCNH2 (0.53) | KCNH2PGRALDH1A1LMNACYP3A4 | |
| SCHEMBL14599354 | 0.76 | KCNH2 (0.52) | KCNH2PGR | |
| Lersivirine SCHEMBL509058 | 0.76 | KCNH2 (0.45) | KCNH2PGRALDH1A1LMNA | |
| SCHEMBL509168 | 0.75 | KCNH2 (0.46) | KCNH2PGRALDH1A1LMNA |
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-1762567-A1 | Pyrazole derivatives for treating HIV | Pfizer Limited (GB) | 2007-03-14 | — | — | EP | disclosed |