Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 5/20 | 0.53 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 2/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.47 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4945460 | 0.89 | CTRB1 (0.58) | CYP1A2CTSKCTSBCTRB1CTSL | |
| SCHEMBL7306108 | 0.88 | CTSD (0.55) | CTSKCTSBCTSLCTSSMME | |
| SCHEMBL7298448 | 0.86 | CTSK (0.56) | CTSKCTSBCTSLCTSSTACR1 | |
| SCHEMBL8944981 | 0.82 | CTSD (0.48) | CYP1A2CTSKCTSBCTSLMME | |
| SCHEMBL7295499 | 0.82 | CTSL (0.51) | CTSKCTSBCTSLCTSSTACR1 | |
| SCHEMBL7306251 | 0.81 | CTSL (0.59) | CTSKCTSBCTSLCTSSTACR1 | |
| SCHEMBL10612913 | 0.81 | CTSK (0.63) | CYP1A2CTSKCTSBCTRB1CTSL | |
| SCHEMBL22753446 | 0.81 | CTSK (0.63) | CYP1A2CTSKCTSBCTRB1CTSL | |
| SCHEMBL11515552 | 0.81 | CTSK (0.63) | CYP1A2CTSKCTSBCTRB1CTSL | |
| SCHEMBL4402528 | 0.81 | CTRB1 (0.62) | CTSKCTSBCTRB1CTSLCTSS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |