Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | RHOA | P61586 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5098502 | 0.87 | ALDH1A1 (0.51) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL2830668 | 0.84 | CYP3A4 (0.58) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL2832548 | 0.83 | CYP3A4 (0.47) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL5108210 | 0.82 | CYP3A4 (0.42) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL28355427 | 0.81 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL2833749 | 0.80 | CYP3A4 (0.50) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL15867215 | 0.79 | CYP3A4 (0.44) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL10616152 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL2831985 | 0.77 | CYP3A4 (0.49) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL7631407 | 0.77 | CYP3A4 (0.59) | CYP3A4ALDH1A1HSD17B10TSHRSNCA |
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-0945453-B1 | Fungicidal trifluorophenyl-triazolopyrimidines | BASF AG (DE) | 2002-11-20 | — | — | EP | disclosed |
| US-6117865-A | FOR CONTROLLING FUNGUS IN PLANTS | AMERICAN CYANAMID COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| EP-0945453-A1 | Fungicidal trifluorophenyl-triazolopyrimidines | American Cyanamid Company (US) | 1999-09-29 | — | — | EP | disclosed |