Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | TNF | P01375 | 5/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HSD17B13 | Q7Z5P4 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3177791 | 0.82 | ESR2 (0.42) | ESR2ESR1TNFHDAC6HSD17B13 | |
| SCHEMBL3177738 | 0.73 | TNF (0.39) | ESR2ESR1TNFHDAC6MAPT | |
| SCHEMBL3192060 | 0.71 | TNF (0.35) | TNFHDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL5026746 | 0.69 | HDAC6 (0.55) | TNFHDAC6ALDH1A1HDAC3HDAC4 | |
| SCHEMBL3188070 | 0.68 | PRKCA (0.38) | ALDH1A1 | |
| SCHEMBL13531686 | 0.66 | ESR2 (0.54) | ESR2ESR1ALDH1A1 | |
| SCHEMBL28877042 | 0.65 | HDAC1 (0.47) | HDAC6ALDH1A1HDAC1 | |
| SCHEMBL664005 | 0.63 | HDAC6 (0.55) | TNFHDAC6MAPTALDH1A1HDAC3 | |
| SCHEMBL3429086 | 0.63 | ESR2 (0.36) | ESR2ALDH1A1 | |
| SCHEMBL5562061 | 0.59 | HDAC6 (0.55) | TNFHDAC6ALDH1A1HDAC3HDAC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1836191-A1 | PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006067391-A1 | PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2006-06-29 | — | — | WO | disclosed |