Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 6/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10137355 | 0.86 | CA2 (0.36) | HTTCA2CA1CA7CTSK | |
| SCHEMBL14943542 | 0.84 | TSHR (0.39) | HTTCA2TSHRALOX15CA1 | |
| SCHEMBL12412301 | 0.82 | HTT (0.38) | HTTCA2TSHRALOX15CA1 | |
| SCHEMBL12330212 | 0.82 | HTT (0.38) | HTTCA2TSHRALOX15CA1 | |
| SCHEMBL14479851 | 0.81 | CA2 (0.40) | CA2CA1CA7CYP2C9CTSK | |
| SCHEMBL6418 | 0.81 | CA2 (0.40) | CA2CA1CA7CYP2C9CTSK | |
| SCHEMBL192054 | 0.81 | CA2 (0.40) | CA2CA1CA7CYP2C9CTSK | |
| SCHEMBL6434938 | 0.80 | HTT (0.38) | HTTALOX15 | |
| SCHEMBL6434939 | 0.80 | HTT (0.38) | HTTALOX15 | |
| SCHEMBL7437835 | 0.80 | 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 |