Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 7/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | SLC7A11 | Q9UPY5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6433 | 1.00 | — | — | |
| SCHEMBL1183636 | 1.00 | — | — | |
| SCHEMBL6688 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29448819 | 0.97 | ALDH1A1 (0.59) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| Hydrochloric Acid SCHEMBL2852111 | 0.97 | ALDH1A1 (0.59) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| SCHEMBL22750002 | 0.97 | ALDH1A1 (0.59) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| Hydrochloric Acid SCHEMBL158225 | 0.97 | ALDH1A1 (0.59) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| Ammonia Solution, Strong SCHEMBL28108684 | 0.97 | ALDH1A1 (0.59) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| Acetic Acid SCHEMBL28270661 | 0.94 | ALDH1A1 (0.56) | ALDH1A1PTGS1MAPTSLC7A5DPP4 | |
| Alanine SCHEMBL28074362 | 0.92 | ALDH1A1 (0.54) | ALDH1A1PTGS1MAPTSLC7A5DPP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876336-B1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6225345-B1 | FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME | NOVARTIS AG (CH) | 2001-05-01 | — | — | US | disclosed |
| EP-0876336-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | Novartis AG (CH) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997019055-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 1997-05-29 | — | — | WO | disclosed |