Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 2/20 | 0.31 |
| ▸ | ADH1C | P00326 | 2/20 | 0.31 |
| ▸ | ADH1A | P07327 | 2/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1002242 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KMT2AGAAADH1BADH1C | |
| SCHEMBL6469372 | 0.74 | PKM (0.35) | ALDH1A1GAAPKM | |
| SCHEMBL27759367 | 0.73 | — | — | |
| SCHEMBL29173157 | 0.73 | ADH1B (0.37) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL21725202 | 0.72 | ALDH1A1 (0.40) | ALDH1A1KMT2AGAA | |
| SCHEMBL3172838 | 0.71 | — | — | |
| SCHEMBL23845317 | 0.69 | ADH1B (0.59) | ALDH1A1GAAADH1BADH1CADH1A | |
| SCHEMBL27758272 | 0.69 | — | — | |
| SCHEMBL3173876 | 0.69 | ADH1B (0.59) | ALDH1A1GAAADH1BADH1CADH1A | |
| SCHEMBL15704382 | 0.69 | ALDH1A1 (0.34) | ALDH1A1KMT2AGAAPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077976-B1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA NV (BE) | 2002-08-07 | — | — | EP | disclosed |
| EP-1077976-A1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058530-A1 | WATER SOLUBLE AZOLES AS BROAD-SPECTRUM ANTIFUNGALS | JANSSEN PHARMACEUTICA N.V. (BE) | 1999-11-18 | — | — | WO | disclosed |