Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27372584 | 1.00 | CYP1A2 (0.44) | CYP1A2ADAMTS4CYP2C9CYP2C19HDAC1 | |
| SCHEMBL7337376 | 0.91 | CYP1A2 (0.48) | CYP1A2ADAMTS4HDAC1HDAC2KDM4E | |
| SCHEMBL7337373 | 0.91 | CYP1A2 (0.48) | CYP1A2ADAMTS4HDAC1HDAC2KDM4E | |
| SCHEMBL7300357 | 0.85 | HDAC1 (0.46) | CYP1A2HDAC1HDAC2KDM4EALDH1A1 | |
| SCHEMBL27375082 | 0.85 | HDAC1 (0.46) | CYP1A2HDAC1HDAC2KDM4EALDH1A1 | |
| SCHEMBL7388688 | 0.85 | CYP1A2 (0.43) | CYP1A2ADAMTS4HDAC1HDAC2KDM4E | |
| SCHEMBL7298672 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C9HDAC1HDAC2KDM4E | |
| SCHEMBL7299517 | 0.81 | CYP3A4 (0.45) | CYP1A2CYP2C9CYP2C19CA2ELANE | |
| SCHEMBL7393135 | 0.81 | CA2 (0.60) | CYP1A2ADAMTS4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL7302427 | 0.81 | CA2 (0.60) | CYP1A2ADAMTS4CYP2C9CYP2C19ALDH1A1 |
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 4 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-0652009-A1 | Identification and use of protease inhibitors | ELI LILLY AND COMPANY (US) | 1995-05-10 | — | — | EP | 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 |