Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | PYGL | P06737 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7298672 | 0.93 | CYP1A2 (0.43) | MMECYP1A2PYGLCYP2C9HDAC1 | |
| SCHEMBL7300357 | 0.90 | HDAC1 (0.46) | MMECYP1A2ALOX5HDAC1HDAC2 | |
| SCHEMBL27375082 | 0.90 | HDAC1 (0.46) | MMECYP1A2ALOX5HDAC1HDAC2 | |
| SCHEMBL7329343 | 0.83 | CYP1A2 (0.41) | CYP1A2ALOX5HDAC1HDAC2AGTR2 | |
| SCHEMBL7300475 | 0.81 | CTSD (0.46) | CYP2C9HDAC1HDAC2 | |
| SCHEMBL7337373 | 0.81 | CYP1A2 (0.48) | CYP1A2HDAC1HDAC2AGTR2ALDH1A1 | |
| SCHEMBL7337376 | 0.81 | CYP1A2 (0.48) | CYP1A2HDAC1HDAC2AGTR2ALDH1A1 | |
| SCHEMBL7305142 | 0.80 | CYP1A2 (0.44) | CYP1A2PYGLCYP2C9HDAC1HDAC2 | |
| SCHEMBL27372584 | 0.80 | CYP1A2 (0.44) | CYP1A2PYGLCYP2C9HDAC1HDAC2 | |
| SCHEMBL20880040 | 0.79 | NOD1 (0.49) | CYP1A2ALOX5CYP2C9HDAC1HDAC2 |
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 |