Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2709062 | 0.84 | CA2 (0.33) | CA2 | |
| SCHEMBL7869542 | 0.81 | CA2 (0.40) | CA2 | |
| SCHEMBL7441185 | 0.80 | HTT (0.42) | HTTCA2ALOX15 | |
| SCHEMBL6434938 | 0.73 | HTT (0.38) | HTTALOX15 | |
| SCHEMBL6434939 | 0.73 | HTT (0.38) | HTTALOX15 | |
| SCHEMBL14943542 | 0.69 | TSHR (0.39) | HTTCA2ALOX15 | |
| SCHEMBL16001562 | 0.69 | TGFBR1 (0.33) | CA2 | |
| SCHEMBL10137355 | 0.68 | CA2 (0.36) | HTTCA2 | |
| SCHEMBL12330212 | 0.68 | HTT (0.38) | HTTCA2ALOX15 | |
| SCHEMBL12412301 | 0.68 | HTT (0.38) | HTTCA2ALOX15 |
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-5773468-A | Irreversible HIV protease inhibitor having an anti-aids activity and process for the preparation thereof | LG CHEMICAL LIMITED (KR) | 1998-06-30 | — | — | US | disclosed |
| EP-0770606-A1 | Cis-epoxide derivate useful as irreversible HIV protease inhibitor and process for its preparation | LG Chemical Limited (KR) | 1997-05-02 | — | — | EP | disclosed |