Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8486317 | 0.79 | SLC1A3 (0.44) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28295654 | 0.79 | SLC1A3 (0.44) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL4669804 | 0.79 | SLC1A3 (0.44) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6703242 | 0.79 | SLC1A3 (0.49) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL5016667 | 0.79 | SLC1A3 (0.49) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL27613188 | 0.79 | SLC1A3 (0.44) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7339294 | 0.77 | PSMB5 (0.39) | ITGA4ITGB7LTA4HSLC7A5PPARG | |
| SCHEMBL9833389 | 0.77 | ITGA4 (0.47) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8069353 | 0.75 | ITGA4 (0.45) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL27773551 | 0.75 | SLC1A1 (0.64) | ITGA4ITGB7SLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5648497-A | Retroviral protease inhibiting compounds | ABBOTT LABORAOTRIES (US) | 1997-07-15 | — | — | US | disclosed |
| US-5597926-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | US | disclosed |