Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12353660 | 0.83 | NPC1 (0.41) | NPC1RAB9AEPHX1 | |
| SCHEMBL20684188 | 0.82 | EPHX1 (0.50) | EPHX1 | |
| SCHEMBL26270226 | 0.82 | EPHX1 (0.50) | EPHX1 | |
| SCHEMBL6004567 | 0.82 | EPHX1 (0.50) | EPHX1 | |
| SCHEMBL26351185 | 0.82 | EPHX1 (0.50) | EPHX1 | |
| SCHEMBL7763823 | 0.81 | — | — | |
| SCHEMBL7002056 | 0.80 | SMN1; SMN2 (0.38) | EPHX1 | |
| SCHEMBL3613886 | 0.80 | EPHX1 (0.31) | EPHX1 | |
| SCHEMBL7681560 | 0.80 | EPHX1 (0.31) | EPHX1 | |
| SCHEMBL7002053 | 0.80 | EPHX1 (0.35) | EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017024092-A1 | METAL-CATALYZED OXIDATIVE COUPLING OF THIOLS | ECOLAB USA INC. (US) | 2017-02-09 | — | — | WO | disclosed |