Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277789 | 0.81 | TRPA1 (0.41) | CYP1A2CYP2A6SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL9708802 | 0.81 | TRPA1 (0.41) | CYP1A2CYP2A6SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL7300749 | 0.81 | TRPA1 (0.41) | CYP1A2CYP2A6SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL8465868 | 0.79 | HTR2A (0.67) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL7306558 | 0.77 | CYP3A4 (0.45) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7306681 | 0.76 | HTR2A (0.41) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL9176689 | 0.71 | HTR2A (0.53) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL6843917 | 0.69 | HTR2A (0.52) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL2482281 | 0.69 | HTR2A (0.58) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL5306693 | 0.69 | HTR2A (0.56) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 |
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 |