Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.49 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7268430 | 0.93 | HTT (0.52) | HTTSIRT2SIRT1CAPN1CAPN2 | |
| SCHEMBL6443882 | 0.88 | HTT (0.56) | HTTSIRT2SIRT1SIRT3CAPN1 | |
| SCHEMBL6443877 | 0.88 | HTT (0.56) | HTTSIRT2SIRT1SIRT3CAPN1 | |
| SCHEMBL6447441 | 0.87 | HTT (0.57) | HTTSIRT2SIRT1CAPN1CAPN2 | |
| SCHEMBL6447440 | 0.87 | HTT (0.57) | HTTSIRT2SIRT1CAPN1CAPN2 | |
| SCHEMBL8539759 | 0.86 | CTSD (0.57) | PSMB5CTSD | |
| SCHEMBL8534869 | 0.85 | CTSD (0.58) | HTTFOLH1CTSD | |
| SCHEMBL9296228 | 0.84 | CASP1 (0.54) | CTSD | |
| SCHEMBL30605359 | 0.83 | HTT (0.48) | HTTTGM2FOLH1CA2CA5A | |
| SCHEMBL3210676 | 0.82 | CTSB (0.60) | CTSBCTSKCTSDCA2CA5A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |