Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1127046 | 0.87 | CNR1 (0.46) | ALDH1A1HPGDCNR2CNR1 | |
| SCHEMBL15162449 | 0.85 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4ALOX15CASP1 | |
| SCHEMBL16588815 | 0.85 | TP53 (0.39) | ALDH1A1CYP1A2CYP3A4ALOX15CASP1 | |
| SCHEMBL1126908 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CHRM3P2RX7HPGDCNR2 | |
| SCHEMBL1989510 | 0.78 | CNR1 (0.41) | ALDH1A1CYP1A2CYP3A4ALOX15CASP1 | |
| SCHEMBL1127699 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4CASP1HSD17B10 | |
| SCHEMBL1126995 | 0.74 | GFER (0.39) | ALDH1A1CYP1A2CYP3A4HPGDEGFR | |
| SCHEMBL1126629 | 0.71 | ACACB (0.37) | ALDH1A1CASP1HSD17B10TP53P2RX7 | |
| SCHEMBL15161955 | 0.71 | SMN1; SMN2 (0.44) | ALDH1A1CNR2CNR1 | |
| SCHEMBL16588838 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4ALOX15CASP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2283006-B1 | PYRROLE ANTIFUNGAL AGENTS | F2G LTD (GB) | 2015-02-25 | — | — | EP | disclosed |
| EP-2626361-B1 | Pyrrole antifungal agents | F2G LTD (GB) | 2014-10-15 | — | — | EP | disclosed |
| EP-2626361-A1 | Pyrrole antifungal agents | F2G Limited (GB) | 2013-08-14 | — | — | EP | disclosed |
| EP-2283006-A1 | PYRROLE ANTIFUNGAL AGENTS | F2G Limited (GB) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009130481-A1 | PYRROLE ANTIFUNGAL AGENTS | F2G LTD (GB) | 2009-10-29 | — | — | WO | disclosed |