Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | HCK | P08631 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 2/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27612533 | 0.84 | PIK3CD (0.46) | BRD4NPC1ADORA2AADORA1PIK3CD | |
| SCHEMBL6361280 | 0.80 | HEXA (0.57) | MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL847565 | 0.77 | CYP2A6 (0.49) | ABL1EGFRKDR | |
| SCHEMBL1640616 | 0.74 | BRAF (0.58) | NPC1ADORA2AADORA1PIK3CDABL1 | |
| SCHEMBL2745043 | 0.73 | DHFR (0.59) | NPC1CYP3A4CYP2D6MAP3K11LRRK2 | |
| SCHEMBL5850255 | 0.72 | NPC1 (0.79) | BRD4NPC1CA12CA1CA2 | |
| SCHEMBL4265699 | 0.72 | PIK3CD (0.52) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL27631876 | 0.72 | ADORA2A (0.56) | BRD4ADORA2AADORA1PIK3CDABL1 | |
| SCHEMBL4737438 | 0.71 | TYMS (0.47) | NPC1ADORA2AADORA1PIK3CDABL1 | |
| SCHEMBL3364409 | 0.71 | HSP90AA1 (0.54) | BRD4NPC1ADORA2AADORA1CA12 |
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-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | claimed |
| EP-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433636-A1 | Treatment of Malignant Diseases | Medizinische Universität Wien (AT) | 2012-03-28 | — | — | EP | disclosed |