Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 4/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 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 | |
|---|---|---|---|---|
| SCHEMBL8014042 | 0.86 | SMN1; SMN2 (0.42) | EPHX1ANPEPALPIPKMPTGS1 | |
| SCHEMBL2799200 | 0.79 | EPHX1 (0.42) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL7306710 | 0.79 | EPHX1 (0.54) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL7301303 | 0.77 | EPHX1 (0.52) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL6562522 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1817802 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1683190 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL4912039 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL3670997 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL5732556 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6054597-A | Processes and intermediates for the preparation of cyclic urea HIV protease inhibitors | DUPONT PHARMACEUTICALS (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1996000728-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |
| US-5466797-A | Intermediates for the preparation of cyclic urea | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-11-14 | — | — | US | disclosed |