Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | LAP3 | P28838 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708802 | 1.00 | TRPA1 (0.41) | TRPA1CYP3A4MAPK1ANPEPLAP3 | |
| SCHEMBL7277789 | 1.00 | TRPA1 (0.41) | TRPA1CYP3A4MAPK1ANPEPLAP3 | |
| SCHEMBL9708851 | 1.00 | TRPA1 (0.41) | TRPA1CYP3A4MAPK1ANPEPLAP3 | |
| SCHEMBL7976426 | 0.83 | TRPA1 (0.42) | TRPA1CYP3A4MAPK1ANPEPLAP3 | |
| SCHEMBL7305610 | 0.81 | HTR2A (0.47) | SLC6A2SIGMAR1SLC6A4SLC6A3CYP2A6 | |
| SCHEMBL5470537 | 0.81 | ALDH1A1 (0.58) | CYP3A4CYP1A2ALDH1A1MEN1POLB | |
| SCHEMBL5477128 | 0.81 | ALDH1A1 (0.58) | CYP3A4CYP1A2ALDH1A1MEN1POLB | |
| SCHEMBL9699771 | 0.80 | SIGMAR1 (0.37) | TRPA1CYP3A4MAPK1SIGMAR1SLC6A3 | |
| SCHEMBL7451566 | 0.79 | HTT (0.58) | MAPK1POLBKMT2A | |
| SCHEMBL8945893 | 0.79 | LAP3 (0.47) | CYP3A4MAPK1ANPEPLAP3TAAR1 |
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 9 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-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | 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-0538396-A4 | — | — | 1994-04-13 | — | — | 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 |
| EP-0538396-A1 | INHIBITORS OF RETROVIRAL PROTEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1992000948-A1 | INHIBITORS OF RETROVIRAL PROTEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1992-01-23 | — | — | WO | disclosed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | disclosed |