Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004946 | 0.74 | CA1 (0.33) | ALDH1A1CA1EPHX1 | |
| SCHEMBL10723265 | 0.72 | EPHX1 (0.56) | ALDH1A1CA1EPHX1 | |
| SCHEMBL6124862 | 0.72 | EPHX1 (0.56) | ALDH1A1CA1EPHX1 | |
| SCHEMBL3784128 | 0.70 | CA12 (0.36) | ALDH1A1 | |
| SCHEMBL25008100 | 0.70 | EPHX1 (0.39) | ALDH1A1CA1EPHX1 | |
| SCHEMBL19302712 | 0.69 | EPHX1 (0.34) | ALDH1A1CA1EPHX1 | |
| SCHEMBL19050428 | 0.69 | EPHX1 (0.42) | ALDH1A1CA1EPHX1 | |
| SCHEMBL25782408 | 0.69 | EPHX1 (0.38) | ALDH1A1EPHX1 | |
| SCHEMBL242031 | 0.68 | — | — | |
| SCHEMBL1156098 | 0.67 | — | — |
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-2003014121-A9 | COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES | GUILFORD PHARM INC (US) | 2004-03-25 | — | — | WO | disclosed |