Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 3/20 | 0.41 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4650877 | 0.85 | EPHX1 (0.55) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| Bromide SCHEMBL1046181 | 0.82 | EPHX1 (0.52) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL6720552 | 0.76 | ACE (0.54) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL11188256 | 0.76 | EPHX1 (0.52) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL28505261 | 0.76 | EPHX1 (0.46) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL9122735 | 0.76 | TRPA1 (0.54) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL5609931 | 0.75 | EPHX1 (0.50) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| Bromide SCHEMBL11187003 | 0.74 | EPHX1 (0.50) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL8711135 | 0.74 | EPHX1 (0.55) | EPHX1ANPEPTAAR1SLC6A2MAOA | |
| SCHEMBL1665737 | 0.73 | EPHX1 (0.48) | EPHX1ANPEPTAAR1SLC6A2MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |