Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 6/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5441357 | 0.91 | CCR1 (0.38) | CYP19A1SMN1; SMN2KMT2AHTTNPC1 | |
| SCHEMBL11278882 | 0.83 | CYP19A1 (0.39) | CYP19A1SMN1; SMN2KMT2AHTTL3MBTL1 | |
| SCHEMBL1508086 | 0.77 | CCR1 (0.42) | CYP19A1RAB9ACCR1CCR3 | |
| SCHEMBL11487905 | 0.76 | CYP19A1 (0.42) | CYP19A1KMT2ACCR1CCR3MEN1 | |
| SCHEMBL1508075 | 0.72 | L3MBTL1 (0.35) | L3MBTL1RAB9AHSD17B10CCR1 | |
| SCHEMBL5434840 | 0.71 | KCNN4 (0.41) | SMN1; SMN2CCR1HIF1AALDH1A1 | |
| SCHEMBL11278790 | 0.71 | KMT2A (0.67) | CYP19A1SMN1; SMN2KMT2AHTTMEN1 | |
| SCHEMBL2066381 | 0.71 | ATM (0.55) | RAB9ACCR1CCR3 | |
| SCHEMBL9721564 | 0.70 | CCR1 (0.43) | RAB9ACCR1CCR3 | |
| Water SCHEMBL28145599 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0061840-A2 | Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-10-06 | — | — | EP | disclosed |