Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11060290 | 0.85 | EPHX1 (0.44) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL1840802 | 0.85 | EPHX1 (0.44) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL5496557 | 0.84 | EPHX1 (0.41) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL8972557 | 0.83 | NPC1 (0.43) | EPHX1ACHENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5622460 | 0.82 | EPHX1 (0.48) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL4727558 | 0.82 | EPHX1 (0.42) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL2345224 | 0.82 | EPHX1 (0.42) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL11072059 | 0.81 | EPHX1 (0.47) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL6984629 | 0.81 | EPHX1 (0.47) | EPHX1ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL9103059 | 0.81 | EPHX1 (0.41) | EPHX1ACHEALDH1A1NPC1RAB9A |
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-2361243-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2011-08-31 | — | — | EP | disclosed |
| WO-2010056877-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2010-05-20 | — | — | WO | disclosed |