Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GNPAT | O15228 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 3/20 | 0.32 |
| ▸ | CPB1 | P15086 | 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 | |
|---|---|---|---|---|
| D-Alanine SCHEMBL7432397 | 0.91 | ALDH1A1 (0.40) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| SCHEMBL6026424 | 0.90 | ALOX15 (0.42) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| SCHEMBL61371 | 0.90 | ALOX15 (0.42) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| SCHEMBL61370 | 0.90 | ALOX15 (0.42) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| Water SCHEMBL8680771 | 0.88 | ALOX15 (0.41) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| SCHEMBL7162435 | 0.88 | ALOX15 (0.41) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| SCHEMBL7162439 | 0.88 | ALOX15 (0.41) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| Water SCHEMBL6933673 | 0.88 | ALOX15 (0.41) | ITGB3ITGA2BALDH1A1TNFKDM4E | |
| Histidine SCHEMBL9224491 | 0.88 | ITGB3 (0.39) | ITGB3ITGA2BALDH1A1SLC7A5TNF | |
| SCHEMBL78174 | 0.88 | ACE (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | claimed |
| WO-2002068586-A2 | HIV/FIV PROTEASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-09-06 | — | — | WO | disclosed |