Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10469518 | 0.87 | CYP3A4 (0.44) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL10418945 | 0.85 | HSP90AA1 (0.48) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL10364784 | 0.84 | KMT2A (0.54) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL6202493 | 0.82 | MAPT (0.60) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL6227295 | 0.81 | CYP19A1 (0.51) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL6203196 | 0.80 | CYP3A4 (0.53) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL10468609 | 0.80 | KMT2A (0.56) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL6222574 | 0.80 | CYP19A1 (0.49) | CYP19A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL9795408 | 0.80 | CYP19A1 (0.53) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 | |
| SCHEMBL11561868 | 0.79 | KMT2A (0.49) | CYP19A1CYP3A4KMT2AHSP90AA1MEN1 |
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-0122693-B1 | ANTIFUNGAL DI(AZOLYL)PROPANOL DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-08 | — | — | EP | disclosed |
| US-4625036-A | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-11-25 | — | — | US | disclosed |
| EP-0122693-A1 | Antifungal di(azolyl)propanol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-10-24 | — | — | EP | disclosed |